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3-(chloromethyl)benzonitrile

3-(chloromethyl)benzonitrile

CAS: 64407-07-4

Formula: C8H6ClN

SMILES: ClCC1=CC(=CC=C1)C#N

IUPAC: 3-(chloromethyl)benzonitrile

InChI: InChI=1S/C8H6ClN/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5H2

Composition: C (63.39%), H (3.99%), Cl (23.38%), N (9.24%)

Molar Mass: 151.59

Atom Count: 16

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 151.0188769
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey WRXVOTDGLNPNND-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.65
Topological Polar Surface Area 23.79
Polarizability 15.81
Ring Count 1
Rotatable Bond Count 1

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