Home Halogens Benzene, 1-chloro-4-(isocyanatomethyl)-

Benzene, 1-chloro-4-(isocyanatomethyl)-

CAS No.:
30280-44-5
Catalog Number:
AG002ZG8
Molecular Formula:
C8H6ClNO
Molecular Weight:
167.5923
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG002ZG8
Chemical Name:
Benzene, 1-chloro-4-(isocyanatomethyl)-
CAS Number:
30280-44-5
Molecular Formula:
C8H6ClNO
Molecular Weight:
167.5923
IUPAC Name:
1-chloro-4-(isocyanatomethyl)benzene
InChI:
InChI=1S/C8H6ClNO/c9-8-3-1-7(2-4-8)5-10-6-11/h1-4H,5H2
InChI Key:
OAXSVEFCBLZGCA-UHFFFAOYSA-N
SMILES:
O=C=NCc1ccc(cc1)Cl
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.014g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.592g/mol
Monoisotopic Mass:
167.014g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties