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3-(bromomethyl)-4-chlorobenzonitrile

3-(bromomethyl)-4-chlorobenzonitrile

CAS: 1021871-37-3

Formula: C8H5BrClN

SMILES: ClC1=CC=C(C=C1CBr)C#N

IUPAC: 3-(bromomethyl)-4-chlorobenzonitrile

InChI: InChI=1S/C8H5BrClN/c9-4-7-3-6(5-11)1-2-8(7)10/h1-3H,4H2

Composition: C (41.69%), H (2.19%), Br (34.67%), Cl (15.38%), N (6.08%)

Molar Mass: 230.49

Atom Count: 16

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 228.92939
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey PEUFAERJRRTSBW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.43
Topological Polar Surface Area 23.79
Polarizability 18.65
Ring Count 1
Rotatable Bond Count 1

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95% <5 Days 1021871-37-3 $2,310.00-$3,630.00$2,310.00$2,970.00$3,630.00
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