2-[(4-chlorophenyl)methylidene]propanedinitrile

2-[(4-chlorophenyl)methylidene]propanedinitrile

CAS: 1867-38-5

Formula: C10H5ClN2

SMILES: ClC1=CC=C(C=C(C#N)C#N)C=C1

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

InChI: InChI=1S/C10H5ClN2/c11-10-3-1-8(2-4-10)5-9(6-12)7-13/h1-5H

Composition: C (63.68%), H (2.67%), Cl (18.80%), N (14.85%)

Molar Mass: 188.61

Atom Count: 18

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	188.0141259
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	FQSXBLOWLYPURG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.9
Topological Polar Surface Area	47.58
Polarizability	19
Ring Count	1
Rotatable Bond Count	1

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