Home Halogens Benzeneacetonitrile, 2-bromo-3-methyl-

Benzeneacetonitrile, 2-bromo-3-methyl-

CAS No.:
248920-09-4
Catalog Number:
AG002PRE
Molecular Formula:
C9H8BrN
Molecular Weight:
210.0705
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Product Description
Catalog Number:
AG002PRE
Chemical Name:
Benzeneacetonitrile, 2-bromo-3-methyl-
CAS Number:
248920-09-4
Molecular Formula:
C9H8BrN
Molecular Weight:
210.0705
MDL Number:
MFCD18392225
IUPAC Name:
2-(2-bromo-3-methylphenyl)acetonitrile
InChI:
InChI=1S/C9H8BrN/c1-7-3-2-4-8(5-6-11)9(7)10/h2-4H,5H2,1H3
InChI Key:
LQQGCXTYKIBEJD-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1Br)CC#N
Properties
Complexity:
170  
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:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties