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1021871-37-3 | Benzonitrile, 3-(bromomethyl)-4-chloro-
CAS No: 1021871-37-3 Catalog No: AG0006UK MDL No:
Product Description
Catalog Number:
AG0006UK
Chemical Name:
Benzonitrile, 3-(bromomethyl)-4-chloro-
CAS Number:
1021871-37-3
Molecular Formula:
C8H5BrClN
Molecular Weight:
230.4890
IUPAC Name:
3-(bromomethyl)-4-chlorobenzonitrile
InChI:
InChI=1S/C8H5BrClN/c9-4-7-3-6(5-11)1-2-8(7)10/h1-3H,4H2
InChI Key:
PEUFAERJRRTSBW-UHFFFAOYSA-N
SMILES:
BrCc1cc(C#N)ccc1Cl
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.929g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.489g/mol
Monoisotopic Mass:
228.929g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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