4-nitro-1H-pyrazole-3-carbonyl chloride

4-nitro-1H-pyrazole-3-carbonyl chloride

CAS: 518990-55-1

Formula: C4H2ClN3O3

SMILES: [O-][N+](=O)C1=CNN=C1C(Cl)=O

IUPAC: 4-nitro-1H-pyrazole-3-carbonyl chloride

InChI: InChI=1S/C4H2ClN3O3/c5-4(9)3-2(8(10)11)1-6-7-3/h1H,(H,6,7)

Composition: C (27.37%), H (1.15%), Cl (20.20%), N (23.94%), O (27.34%)

Molar Mass: 175.53

Atom Count: 13

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	174.9784686
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	RZBGKBIWPRUUTO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	36.81
Topological Polar Surface Area	88.89
Polarizability	13.17
Ring Count	1
Rotatable Bond Count	2

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