Home Halogens 1-chloro-3-(isocyanatomethyl)benzene

1-chloro-3-(isocyanatomethyl)benzene

CAS No.:
56620-45-2
Catalog Number:
AG01AJZ5
Molecular Formula:
C8H6ClNO
Molecular Weight:
167.5923
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Product Description
Catalog Number:
AG01AJZ5
Chemical Name:
1-chloro-3-(isocyanatomethyl)benzene
CAS Number:
56620-45-2
Molecular Formula:
C8H6ClNO
Molecular Weight:
167.5923
MDL Number:
MFCD06740483
IUPAC Name:
1-chloro-3-(isocyanatomethyl)benzene
InChI:
InChI=1S/C8H6ClNO/c9-8-3-1-2-7(4-8)5-10-6-11/h1-4H,5H2
InChI Key:
JOZKKHBHVQMRHT-UHFFFAOYSA-N
SMILES:
O=C=NCc1cccc(c1)Cl
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:
3.6  
Properties