Home Carboxys 1-(2-nitrophenyl)-1H-pyrazole-3-carboxylic acid

1-(2-nitrophenyl)-1H-pyrazole-3-carboxylic acid

CAS No.:
1006442-69-8
Catalog Number:
AG00JFD9
Molecular Formula:
C10H7N3O4
Molecular Weight:
233.1803
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Product Description
Catalog Number:
AG00JFD9
Chemical Name:
1-(2-nitrophenyl)-1H-pyrazole-3-carboxylic acid
CAS Number:
1006442-69-8
Molecular Formula:
C10H7N3O4
Molecular Weight:
233.1803
MDL Number:
MFCD08696938
IUPAC Name:
1-(2-nitrophenyl)pyrazole-3-carboxylic acid
InChI:
InChI=1S/C10H7N3O4/c14-10(15)7-5-6-12(11-7)8-3-1-2-4-9(8)13(16)17/h1-6H,(H,14,15)
InChI Key:
GFVFGZWAGKOYMQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1n1ccc(n1)C(=O)O
Properties
Complexity:
317  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.044g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
233.183g/mol
Monoisotopic Mass:
233.044g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties