Home Halogens 4-(2-chlorophenyl)butanenitrile

4-(2-chlorophenyl)butanenitrile

CAS No.:
91552-19-1
Catalog Number:
AG01A6GU
Molecular Formula:
C10H10ClN
Molecular Weight:
179.6461
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Product Description
Catalog Number:
AG01A6GU
Chemical Name:
4-(2-chlorophenyl)butanenitrile
CAS Number:
91552-19-1
Molecular Formula:
C10H10ClN
Molecular Weight:
179.6461
MDL Number:
MFCD06656681
IUPAC Name:
4-(2-chlorophenyl)butanenitrile
InChI:
InChI=1S/C10H10ClN/c11-10-7-2-1-5-9(10)6-3-4-8-12/h1-2,5,7H,3-4,6H2
InChI Key:
RVNYXSJZQZDABR-UHFFFAOYSA-N
SMILES:
N#CCCCc1ccccc1Cl
Properties
Complexity:
170  
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:
3  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties