200,000+ products from a single source!
sales@angenechem.com
42872-73-1 | 2-Bromo-4-methylbenzonitrile
CAS No: 42872-73-1 Catalog No: AG003GOM MDL No:MFCD00158968
Product Description
Catalog Number:
AG003GOM
Chemical Name:
2-Bromo-4-methylbenzonitrile
CAS Number:
42872-73-1
Molecular Formula:
C8H6BrN
Molecular Weight:
196.0439
MDL Number:
MFCD00158968
IUPAC Name:
2-bromo-4-methylbenzonitrile
InChI:
InChI=1S/C8H6BrN/c1-6-2-3-7(5-10)8(9)4-6/h2-4H,1H3
InChI Key:
JWCMJJIZYDCGTE-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1Br)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
Literature
| Title | Journal |
|---|---|
| 2-Bromo-4-methyl-benzonitrile. | Acta crystallographica. Section E, Structure reports online 20091201 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.