Home Halogens Benzeneacetonitrile, 4-chloro-a-ethyl-

Benzeneacetonitrile, 4-chloro-a-ethyl-

CAS No.:
39066-10-9
Catalog Number:
AG01A10E
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01A10E
Chemical Name:
Benzeneacetonitrile, 4-chloro-a-ethyl-
CAS Number:
39066-10-9
MDL Number:
MFCD11592202
IUPAC Name:
2-(4-chlorophenyl)butanenitrile
InChI:
InChI=1S/C10H10ClN/c1-2-8(7-12)9-3-5-10(11)6-4-9/h3-6,8H,2H2,1H3
InChI Key:
CPOQXAYHQYYHHU-UHFFFAOYSA-N
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.05g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.647g/mol
Monoisotopic Mass:
179.05g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties