Home Nitriles 5-Chloro-2-isocyanatobenzonitrile

5-Chloro-2-isocyanatobenzonitrile

CAS No.:
64411-72-9
Catalog Number:
AG00EITN
Molecular Formula:
C8H3ClN2O
Molecular Weight:
178.5752
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$225
- +
1g
95%
In Stock USA
United States
$550
- +
Product Description
Catalog Number:
AG00EITN
Chemical Name:
5-Chloro-2-isocyanatobenzonitrile
CAS Number:
64411-72-9
Molecular Formula:
C8H3ClN2O
Molecular Weight:
178.5752
MDL Number:
MFCD06660667
IUPAC Name:
5-chloro-2-isocyanatobenzonitrile
InChI:
InChI=1S/C8H3ClN2O/c9-7-1-2-8(11-5-12)6(3-7)4-10/h1-3H
InChI Key:
HGZKGYSDLSMMKA-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(cc1C#N)Cl
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.993g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.575g/mol
Monoisotopic Mass:
177.993g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties