Home Nitriles 3-Chloro-3-phenyl-acrylonitrile

3-Chloro-3-phenyl-acrylonitrile

CAS No.:
78583-84-3
Catalog Number:
AG005280
Molecular Formula:
C9H6ClN
Molecular Weight:
163.6036
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
≥ 99% (GC)
1 week
United States
$114
- +
250mg
≥ 99% (GC)
1 week
United States
$174
- +
1g
≥ 99% (GC)
1 week
United States
$295
- +
5g
≥ 99% (GC)
1 week
United States
$1051
- +
Product Description
Catalog Number:
AG005280
Chemical Name:
3-Chloro-3-phenyl-acrylonitrile
CAS Number:
78583-84-3
Molecular Formula:
C9H6ClN
Molecular Weight:
163.6036
MDL Number:
MFCD00277431
IUPAC Name:
(Z)-3-chloro-3-phenylprop-2-enenitrile
InChI:
InChI=1S/C9H6ClN/c10-9(6-7-11)8-4-2-1-3-5-8/h1-6H/b9-6-
InChI Key:
GVKYEBRJHLHHOE-TWGQIWQCSA-N
SMILES:
N#CC=C(c1ccccc1)Cl
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
163.019g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.604g/mol
Monoisotopic Mass:
163.019g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties