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123226-36-8 | Benzeneacetonitrile, 3-(bromomethyl)-
CAS No: 123226-36-8 Catalog No: AG000K7K MDL No:
Product Description
Catalog Number:
AG000K7K
Chemical Name:
Benzeneacetonitrile, 3-(bromomethyl)-
CAS Number:
123226-36-8
Molecular Formula:
C9H8BrN
Molecular Weight:
210.0705
IUPAC Name:
2-[3-(bromomethyl)phenyl]acetonitrile
InChI:
InChI=1S/C9H8BrN/c10-7-9-3-1-2-8(6-9)4-5-11/h1-3,6H,4,7H2
InChI Key:
VHOZGWCVCWCNRA-UHFFFAOYSA-N
SMILES:
N#CCc1cccc(c1)CBr
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.984g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.074g/mol
Monoisotopic Mass:
208.984g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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