5-nitro-1H-pyrrole-2-carbonitrile

5-nitro-1H-pyrrole-2-carbonitrile

CAS: 67903-53-1

Formula: C5H3N3O2

SMILES: [O-][N+](=O)C1=CC=C(N1)C#N

IUPAC: 5-nitro-1H-pyrrole-2-carbonitrile

InChI: InChI=1S/C5H3N3O2/c6-3-4-1-2-5(7-4)8(9)10/h1-2,7H

Composition: C (43.80%), H (2.21%), N (30.65%), O (23.34%)

Molar Mass: 137.098

Atom Count: 13

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	137.022526349
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ZVVCRSWBCOBPKF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	31.99
Topological Polar Surface Area	82.72
Polarizability	11.86
Ring Count	1
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	67903-53-1		$213.21-$796.95$213.21$372.60$796.95