Home Other Building Blocks 2-CHLOROBENZYL ISOCYANATE

2-CHLOROBENZYL ISOCYANATE

CAS No.:
55204-93-8
Catalog Number:
AG003H1W
Molecular Formula:
C8H6ClNO
Molecular Weight:
167.5923
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Product Description
Catalog Number:
AG003H1W
Chemical Name:
2-CHLOROBENZYL ISOCYANATE
CAS Number:
55204-93-8
Molecular Formula:
C8H6ClNO
Molecular Weight:
167.5923
MDL Number:
MFCD00673061
IUPAC Name:
1-chloro-2-(isocyanatomethyl)benzene
InChI:
InChI=1S/C8H6ClNO/c9-8-4-2-1-3-7(8)5-10-6-11/h1-4H,5H2
InChI Key:
IBRWLEYNCGRJLX-UHFFFAOYSA-N
SMILES:
O=C=NCc1ccccc1Cl
Properties
Complexity:
166  
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