Home Halogens Benzene, 1-chloro-3-isocyanato-5-methyl-

Benzene, 1-chloro-3-isocyanato-5-methyl-

CAS No.:
91456-35-8
Catalog Number:
AG019FRN
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG019FRN
Chemical Name:
Benzene, 1-chloro-3-isocyanato-5-methyl-
CAS Number:
91456-35-8
MDL Number:
MFCD00060317
IUPAC Name:
1-chloro-3-isocyanato-5-methylbenzene
InChI:
InChI=1S/C8H6ClNO/c1-6-2-7(9)4-8(3-6)10-5-11/h2-4H,1H3
InChI Key:
QUNFCCQHRHTDDB-UHFFFAOYSA-N
Properties
Complexity:
177  
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:
1  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties