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Home Nitro Compounds 491831-82-4
491831-82-4,MFCD00849832
Catalog No.:AA00DAQW

491831-82-4 | 3-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid

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1g
95%
in stock  
$81.00   $57.00
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Technical Information
Catalog Number:
AA00DAQW
Chemical Name:
3-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid
CAS Number:
491831-82-4
Molecular Formula:
C12H11N3O4
Molecular Weight:
261.2334
MDL Number:
MFCD00849832
SMILES:
[O-][N+](=O)c1nn(c(c1)C)Cc1cccc(c1)C(=O)O
Properties
Computed Properties
 
Complexity:
357  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
1.9  

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SDS
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Tags:491831-82-4 Molecular Formula|491831-82-4 MDL|491831-82-4 SMILES|491831-82-4 3-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid