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701917-03-5 | 4-Nitro-1-phenyl-1H-pyrazole-3-carboxylic acid
CAS No: 701917-03-5 Catalog No: AG005KPW MDL No:MFCD20484387
Product Description
Catalog Number:
AG005KPW
Chemical Name:
4-Nitro-1-phenyl-1H-pyrazole-3-carboxylic acid
CAS Number:
701917-03-5
Molecular Formula:
C10H7N3O4
Molecular Weight:
233.1803
MDL Number:
MFCD20484387
IUPAC Name:
4-nitro-1-phenylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C10H7N3O4/c14-10(15)9-8(13(16)17)6-12(11-9)7-4-2-1-3-5-7/h1-6H,(H,14,15)
InChI Key:
HZENRRKFQYHSJU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cn(nc1C(=O)O)c1ccccc1
Properties
Complexity:
311
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
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