Home Halogens Benzene, 1-(chloromethyl)-4-isocyanato-

Benzene, 1-(chloromethyl)-4-isocyanato-

CAS No.:
29173-65-7
Catalog Number:
AG002XKU
Molecular Formula:
C8H6ClNO
Molecular Weight:
167.5923
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Product Description
Catalog Number:
AG002XKU
Chemical Name:
Benzene, 1-(chloromethyl)-4-isocyanato-
CAS Number:
29173-65-7
Molecular Formula:
C8H6ClNO
Molecular Weight:
167.5923
MDL Number:
MFCD00134403
IUPAC Name:
1-(chloromethyl)-4-isocyanatobenzene
InChI:
InChI=1S/C8H6ClNO/c9-5-7-1-3-8(4-2-7)10-6-11/h1-4H,5H2
InChI Key:
OBYMZHLTKVXPQF-UHFFFAOYSA-N
SMILES:
ClCc1ccc(cc1)N=C=O
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:
3.1  
Literature
Title Journal
Anomeric O-acylation of Kdo using alkyl and aryl isocyanates. Carbohydrate research 20051212
Properties