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189161-09-9 | Benzonitrile, 3-chloro-5-methyl-
CAS No: 189161-09-9 Catalog No: AG002HYL MDL No:MFCD09800704
Product Description
Catalog Number:
AG002HYL
Chemical Name:
Benzonitrile, 3-chloro-5-methyl-
CAS Number:
189161-09-9
Molecular Formula:
C8H6ClN
Molecular Weight:
151.5929
MDL Number:
MFCD09800704
IUPAC Name:
3-chloro-5-methylbenzonitrile
InChI:
InChI=1S/C8H6ClN/c1-6-2-7(5-10)4-8(9)3-6/h2-4H,1H3
InChI Key:
VQMCGWDQAVDACL-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C)cc(c1)Cl
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.019g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.593g/mol
Monoisotopic Mass:
151.019g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Cyanation of arenes via iridium-catalyzed borylation. | Journal of the American Chemical Society 20100825 |
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