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220461-68-7,MFCD08056672
Catalog No.:AA0070PS

220461-68-7 | 2-Chloro-4-(3-Methyl-1H-pyrazol-1-yl)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$311.00   $218.00
- +
500mg
95%
in stock  
$836.00   $585.00
- +
1g
95%
in stock  
$1,465.00   $1,025.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0070PS
Chemical Name:
2-Chloro-4-(3-Methyl-1H-pyrazol-1-yl)benzoic acid
CAS Number:
220461-68-7
Molecular Formula:
C11H9ClN2O2
Molecular Weight:
236.6544
MDL Number:
MFCD08056672
SMILES:
Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)O
Properties
Computed Properties
 
Complexity:
275  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
2.4  

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,2000,vol.43,p.4388-4397

[2]Patent:US6235900,2001,B1

1127-74-8    220461-68-7   
1-2-chloro-4-(3-methyl-1H-pyrazol-1-yl)benzoyl-1,2,3,4-tetrahydro-5H-1-benzazepin-5-one 

[1]JournalofMedicinalChemistry,2018,vol.61,p.8670-8692

1127-74-8    220461-68-7   
1-2-chloro-4-(3-methyl-1H-pyrazol-1-yl)benzoyl-2,3,4,5-tetrahydro-1H-1-benzazepin-5-ol 

[1]JournalofMedicinalChemistry,2018,vol.61,p.8670-8692

Literature
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SDS
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Tags:220461-68-7 Molecular Formula|220461-68-7 MDL|220461-68-7 SMILES|220461-68-7 2-Chloro-4-(3-Methyl-1H-pyrazol-1-yl)benzoic acid