3-nitro-1H-pyrazole-4-carboxylic acid

3-nitro-1H-pyrazole-4-carboxylic acid

CAS: 39196-96-8

Formula: C4H3N3O4

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

IUPAC: 3-nitro-1H-pyrazole-4-carboxylic acid

InChI: InChI=1S/C4H3N3O4/c8-4(9)2-1-5-6-3(2)7(10)11/h1H,(H,5,6)(H,8,9)

Composition: C (30.58%), H (1.93%), N (26.75%), O (40.74%)

Molar Mass: 157.085

Atom Count: 14

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	157.012355589
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	KTIIXGKNWFWDGX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	33.64
Topological Polar Surface Area	109.12
Polarizability	11.75
Ring Count	1
Rotatable Bond Count	2

Suppliers

Kinentia Biosciences LLC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<14 Days	39196-96-8		$402.57$402.57

Crea-Chim UAB

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	39196-96-8		$39.00$39.00