Home Other Building Blocks 2-CHLORO-6-METHYLPHENYL ISOCYANATE

2-CHLORO-6-METHYLPHENYL ISOCYANATE

CAS No.:
40398-01-4
Catalog Number:
AG003H0Y
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG003H0Y
Chemical Name:
2-CHLORO-6-METHYLPHENYL ISOCYANATE
CAS Number:
40398-01-4
MDL Number:
MFCD00037030
IUPAC Name:
1-chloro-2-isocyanato-3-methylbenzene
InChI:
InChI=1S/C8H6ClNO/c1-6-3-2-4-7(9)8(6)10-5-11/h2-4H,1H3
InChI Key:
FBTQQNYGMICJQZ-UHFFFAOYSA-N
NSC Number:
108229
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