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491831-83-5,MFCD01114905
Catalog No.:AA00710E

491831-83-5 | 4-[(4-CHLORO-5-METHYL-3-NITRO-1H-PYRAZOL-1-YL)METHYL]BENZOIC ACID

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$40.00   $28.00
- +
5g
95%
in stock  
$161.00   $113.00
- +
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Technical Information
Catalog Number:
AA00710E
Chemical Name:
4-[(4-CHLORO-5-METHYL-3-NITRO-1H-PYRAZOL-1-YL)METHYL]BENZOIC ACID
CAS Number:
491831-83-5
Molecular Formula:
C12H10ClN3O4
Molecular Weight:
295.6785
MDL Number:
MFCD01114905
SMILES:
[O-][N+](=O)c1nn(c(c1Cl)C)Cc1ccc(cc1)C(=O)O
Properties
Computed Properties
 
Complexity:
381  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
2.5  

Literature
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Additional Info:
SDS
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Tags:491831-83-5 Molecular Formula|491831-83-5 MDL|491831-83-5 SMILES|491831-83-5 4-[(4-CHLORO-5-METHYL-3-NITRO-1H-PYRAZOL-1-YL)METHYL]BENZOIC ACID