3-(5-chloro-2-methoxyphenyl)-3-oxopropanenitrile

3-(5-chloro-2-methoxyphenyl)-3-oxopropanenitrile

CAS: 69316-10-5

Formula: C10H8ClNO2

SMILES: COC1=C(C=C(Cl)C=C1)C(=O)CC#N

IUPAC: 3-(5-chloro-2-methoxyphenyl)-3-oxopropanenitrile

InChI: InChI=1S/C10H8ClNO2/c1-14-10-3-2-7(11)6-8(10)9(13)4-5-12/h2-3,6H,4H2,1H3

Composition: C (57.30%), H (3.85%), Cl (16.91%), N (6.68%), O (15.26%)

Molar Mass: 209.63

Atom Count: 22

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	209.0243562
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	WMQXIOXLDHJGBJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.05
Topological Polar Surface Area	50.09
Polarizability	20.17
Ring Count	1
Rotatable Bond Count	3

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