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Home Amines 99844-15-2
99844-15-2,MFCD01605714
Catalog No.:AA01AO5A

99844-15-2 | Benzoic acid, 4-(5-amino-3-methyl-1H-pyrazol-1-yl)-

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100mg
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$186.00   $130.00
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Technical Information
Catalog Number:
AA01AO5A
Chemical Name:
Benzoic acid, 4-(5-amino-3-methyl-1H-pyrazol-1-yl)-
CAS Number:
99844-15-2
Molecular Formula:
C11H11N3O2
Molecular Weight:
217.2239
MDL Number:
MFCD01605714
SMILES:
CC1=NN(C(=C1)N)C2=CC=C(C=C2)C(=O)O
Properties
Computed Properties
 
Complexity:
264  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
2  
XLogP3:
1.5  

Literature

Title: Three substituted 4-pyrazolylbenzoates: hydrogen-bonded supramolecular structures in one, two and three dimensions.

Journal: Acta crystallographica. Section C, Crystal structure communications 20070101

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Tags:99844-15-2 Molecular Formula|99844-15-2 MDL|99844-15-2 SMILES|99844-15-2 Benzoic acid, 4-(5-amino-3-methyl-1H-pyrazol-1-yl)-