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156001-51-3 | Benzonitrile, 5-bromo-2-methyl-
CAS No: 156001-51-3 Catalog No: AG001OGL MDL No:MFCD08061920
Product Description
Catalog Number:
AG001OGL
Chemical Name:
Benzonitrile, 5-bromo-2-methyl-
CAS Number:
156001-51-3
Molecular Formula:
C8H6BrN
Molecular Weight:
196.0439
MDL Number:
MFCD08061920
IUPAC Name:
5-bromo-2-methylbenzonitrile
InChI:
InChI=1S/C8H6BrN/c1-6-2-3-8(9)4-7(6)5-10/h2-4H,1H3
InChI Key:
WNVUTFDOGUGEIS-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Br)ccc1C
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.968g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.047g/mol
Monoisotopic Mass:
194.968g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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