Home Halogens 5-(chloromethyl)-2-methylbenzonitrile

5-(chloromethyl)-2-methylbenzonitrile

CAS No.:
188984-17-0
Catalog Number:
AG01BVRG
Molecular Formula:
C9H8ClN
Molecular Weight:
165.6195
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Product Description
Catalog Number:
AG01BVRG
Chemical Name:
5-(chloromethyl)-2-methylbenzonitrile
CAS Number:
188984-17-0
Molecular Formula:
C9H8ClN
Molecular Weight:
165.6195
MDL Number:
MFCD18394372
IUPAC Name:
5-(chloromethyl)-2-methylbenzonitrile
InChI:
InChI=1S/C9H8ClN/c1-7-2-3-8(5-10)4-9(7)6-11/h2-4H,5H2,1H3
InChI Key:
JNWIAEOOGOGDSU-UHFFFAOYSA-N
SMILES:
ClCc1ccc(c(c1)C#N)C
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.035g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.62g/mol
Monoisotopic Mass:
165.035g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties