7377-13-1,MFCD00429185
Catalog No.:AA005XII

7377-13-1 | 4-(4-Nitrobenzoyl)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
97%
2 weeks  
$70.00   $49.00
- +
250mg
97%
2 weeks  
$95.00   $67.00
- +
1g
97%
2 weeks  
$145.00   $102.00
- +
5g
97%
2 weeks  
$553.00   $387.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA005XII
Chemical Name:
4-(4-Nitrobenzoyl)benzoic acid
CAS Number:
7377-13-1
Molecular Formula:
C14H9NO5
Molecular Weight:
271.2250
MDL Number:
MFCD00429185
SMILES:
O=C(c1ccc(cc1)C(=O)O)c1ccc(cc1)[N+](=O)[O-]
NSC Number:
210284
Properties
Properties
 
Form:
Solid  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
387  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.2  

Upstream Synthesis Route

[1]BioorganicandMedicinalChemistryLetters,2012,vol.22,#2,p.1036-1039

[2]JournalofMedicinalChemistry,2006,vol.49,#2,p.748-759

[3]BioorganicandMedicinalChemistryLetters,2012,vol.22,#1,p.380-386

[4]JustusLiebigsAnnalenderChemie,1895,vol.286,p.329

[5]Molecularcrystalsandliquidcrystals,1984,vol.111,#3-4,p.255-266

[6]MedicinalChemistry,2013,vol.9,#2,p.294-302

[1]BioorganicandMedicinalChemistryLetters,2012,vol.22,#1,p.380-386

[2]BioorganicandMedicinalChemistryLetters,2012,vol.22,#2,p.1036-1039

[3]MedicinalChemistry,2013,vol.9,#2,p.294-302

[1]BioorganicandMedicinalChemistryLetters,2012,vol.22,#2,p.1036-1039

[2]MedicinalChemistry,2013,vol.9,#2,p.294-302

[1]BioorganicandMedicinalChemistryLetters,2012,vol.22,#1,p.380-386

Literature
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Additional Info:
SDS
Related Products of 7377-13-1
Tags:7377-13-1 Molecular Formula|7377-13-1 MDL|7377-13-1 SMILES|7377-13-1 4-(4-Nitrobenzoyl)benzoic acid
Catalog No.: AA005XII
7377-13-1,MFCD00429185
7377-13-1 | 4-(4-Nitrobenzoyl)benzoic acid
Pack Size: 100mg
Purity: 97%
2 weeks
$70.00 $49.00
Pack Size: 250mg
Purity: 97%
2 weeks
$95.00 $67.00
Pack Size: 1g
Purity: 97%
2 weeks
$145.00 $102.00
Pack Size: 5g
Purity: 97%
2 weeks
$553.00 $387.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA005XII
Chemical Name: 4-(4-Nitrobenzoyl)benzoic acid
CAS Number: 7377-13-1
Molecular Formula: C14H9NO5
Molecular Weight: 271.2250
MDL Number: MFCD00429185
SMILES: O=C(c1ccc(cc1)C(=O)O)c1ccc(cc1)[N+](=O)[O-]
NSC Number: 210284
Properties
Form: Solid  
Storage: Keep in dry area;Room Temperature;  
Complexity: 387  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 20  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.2  
Upstream Synthesis Route
5350-47-0    7377-13-1 

[1]BioorganicandMedicinalChemistryLetters,2012,vol.22,#2,p.1036-1039

[2]JournalofMedicinalChemistry,2006,vol.49,#2,p.748-759

[3]BioorganicandMedicinalChemistryLetters,2012,vol.22,#1,p.380-386

[4]JustusLiebigsAnnalenderChemie,1895,vol.286,p.329

[5]Molecularcrystalsandliquidcrystals,1984,vol.111,#3-4,p.255-266

[6]MedicinalChemistry,2013,vol.9,#2,p.294-302

108-88-3    7377-13-1 

[1]BioorganicandMedicinalChemistryLetters,2012,vol.22,#1,p.380-386

[2]BioorganicandMedicinalChemistryLetters,2012,vol.22,#2,p.1036-1039

[3]MedicinalChemistry,2013,vol.9,#2,p.294-302

122-04-3    7377-13-1 

[1]BioorganicandMedicinalChemistryLetters,2012,vol.22,#2,p.1036-1039

[2]MedicinalChemistry,2013,vol.9,#2,p.294-302

62-23-7    7377-13-1 

[1]BioorganicandMedicinalChemistryLetters,2012,vol.22,#1,p.380-386

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