2-[(4-nitrophenyl)methylidene]propanedinitrile

2-[(4-nitrophenyl)methylidene]propanedinitrile

CAS: 2700-23-4

Formula: C10H5N3O2

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

IUPAC: 2-[(4-nitrophenyl)methylidene]propanedinitrile

InChI: InChI=1S/C10H5N3O2/c11-6-9(7-12)5-8-1-3-10(4-2-8)13(14)15/h1-5H

Composition: C (60.31%), H (2.53%), N (21.10%), O (16.07%)

Molar Mass: 199.169

Atom Count: 20

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	199.038176413
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	BDTIGNGBIBFXSE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.41
Topological Polar Surface Area	90.72
Polarizability	19.04
Ring Count	1
Rotatable Bond Count	2

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