174514-07-9,MFCD18252413
Catalog No.:AA001ZNO

174514-07-9 | Benzoic acid, 5-[4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-chloro-4-fluoro-, 1-methylethyl ester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
2 weeks  
$1,980.00   $1,386.00
- +
5mg
2 weeks  
$4,633.00   $3,243.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA001ZNO
Chemical Name:
Benzoic acid, 5-[4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-chloro-4-fluoro-, 1-methylethyl ester
CAS Number:
174514-07-9
Molecular Formula:
C15H12BrClF4N2O2
Molecular Weight:
443.6186
MDL Number:
MFCD18252413
SMILES:
CC(OC(=O)c1cc(c(cc1Cl)F)c1nn(c(c1Br)C(F)(F)F)C)C
Properties
Properties
 
Form:
Solid  
MP:
78-81°C  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
497  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
4.9  

Literature
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Additional Info:
SDS
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Tags:174514-07-9 Molecular Formula|174514-07-9 MDL|174514-07-9 SMILES|174514-07-9 Benzoic acid, 5-[4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-chloro-4-fluoro-, 1-methylethyl ester
Catalog No.: AA001ZNO
174514-07-9,MFCD18252413
174514-07-9 | Benzoic acid, 5-[4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-chloro-4-fluoro-, 1-methylethyl ester
Pack Size: 1mg
Purity:
2 weeks
$1,980.00 $1,386.00
Pack Size: 5mg
Purity:
2 weeks
$4,633.00 $3,243.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA001ZNO
Chemical Name: Benzoic acid, 5-[4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-chloro-4-fluoro-, 1-methylethyl ester
CAS Number: 174514-07-9
Molecular Formula: C15H12BrClF4N2O2
Molecular Weight: 443.6186
MDL Number: MFCD18252413
SMILES: CC(OC(=O)c1cc(c(cc1Cl)F)c1nn(c(c1Br)C(F)(F)F)C)C
Properties
Form: Solid  
MP: 78-81°C  
Storage: 2-8℃;  
Complexity: 497  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 25  
Hydrogen Bond Acceptor Count: 7  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 4.9  
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