3,5-dichloro-4-formylbenzonitrile

3,5-dichloro-4-formylbenzonitrile

CAS: 157870-18-3

Formula: C8H3Cl2NO

SMILES: ClC1=CC(=CC(Cl)=C1C=O)C#N

IUPAC: 3,5-dichloro-4-formylbenzonitrile

InChI: InChI=1S/C8H3Cl2NO/c9-7-1-5(3-11)2-8(10)6(7)4-12/h1-2,4H

Composition: C (48.04%), H (1.51%), Cl (35.45%), N (7.00%), O (8.00%)

Molar Mass: 200.02

Atom Count: 15

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	198.9591691
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	QKJHOBOTYMPIKQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.97
Topological Polar Surface Area	40.86
Polarizability	17.91
Ring Count	1
Rotatable Bond Count	1

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