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2-(bromomethyl)-3-fluorobenzonitrile

2-(bromomethyl)-3-fluorobenzonitrile

CAS: 635723-84-1

Formula: C8H5BrFN

SMILES: FC1=CC=CC(C#N)=C1CBr

IUPAC: 2-(bromomethyl)-3-fluorobenzonitrile

InChI: InChI=1S/C8H5BrFN/c9-4-7-6(5-11)2-1-3-8(7)10/h1-3H,4H2

Composition: C (44.89%), H (2.35%), Br (37.33%), F (8.88%), N (6.54%)

Molar Mass: 214.037

Atom Count: 16

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 212.95894
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey QCKKUQZIPJBLQF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.85
Topological Polar Surface Area 23.79
Polarizability 16.52
Ring Count 1
Rotatable Bond Count 1

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