5-(3-nitrophenyl)-1H-pyrazole-3-carboxylic acid

5-(3-nitrophenyl)-1H-pyrazole-3-carboxylic acid

CAS: 1557038-82-0

Formula: C10H7N3O4

SMILES: OC(=O)C1=NNC(=C1)C1=CC=CC(=C1)[N+]([O-])=O

IUPAC: 5-(3-nitrophenyl)-1H-pyrazole-3-carboxylic acid

InChI: InChI=1S/C10H7N3O4/c14-10(15)9-5-8(11-12-9)6-2-1-3-7(4-6)13(16)17/h1-5H,(H,11,12)(H,14,15)

Composition: C (51.51%), H (3.03%), N (18.02%), O (27.44%)

Molar Mass: 233.183

Atom Count: 24

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	233.043655717
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	KOYVJIGBLQRTRF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.96
Topological Polar Surface Area	109.12
Polarizability	22.34
Ring Count	2
Rotatable Bond Count	3

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