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263159-64-4 | Benzonitrile, 2-bromo-3-methyl-
CAS No: 263159-64-4 Catalog No: AG002SPB MDL No:MFCD09025664
Product Description
Catalog Number:
AG002SPB
Chemical Name:
Benzonitrile, 2-bromo-3-methyl-
CAS Number:
263159-64-4
Molecular Formula:
C8H6BrN
Molecular Weight:
196.0439
MDL Number:
MFCD09025664
IUPAC Name:
2-bromo-3-methylbenzonitrile
InChI:
InChI=1S/C8H6BrN/c1-6-3-2-4-7(5-10)8(6)9/h2-4H,1H3
InChI Key:
RNHZLKDKPMISMY-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1Br)C
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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