Home Halogens 2-chloro-3-phenylbutanenitrile

2-chloro-3-phenylbutanenitrile

CAS No.:
72600-01-2
Catalog Number:
AG01ELU8
Molecular Formula:
C10H10ClN
Molecular Weight:
179.6461
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Product Description
Catalog Number:
AG01ELU8
Chemical Name:
2-chloro-3-phenylbutanenitrile
CAS Number:
72600-01-2
Molecular Formula:
C10H10ClN
Molecular Weight:
179.6461
MDL Number:
MFCD16147049
IUPAC Name:
2-chloro-3-phenylbutanenitrile
InChI:
InChI=1S/C10H10ClN/c1-8(10(11)7-12)9-5-3-2-4-6-9/h2-6,8,10H,1H3
InChI Key:
UCBPWBSLULXDQG-UHFFFAOYSA-N
SMILES:
CC(C(C#N)Cl)c1ccccc1
Properties
Complexity:
176  
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:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties