Home Halogens 1-chloro-2-isocyanato-4-methoxybenzene

1-chloro-2-isocyanato-4-methoxybenzene

CAS No.:
1067970-63-1
Catalog Number:
AG019RRT
Molecular Formula:
C8H6ClNO2
Molecular Weight:
183.5917
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Product Description
Catalog Number:
AG019RRT
Chemical Name:
1-chloro-2-isocyanato-4-methoxybenzene
CAS Number:
1067970-63-1
Molecular Formula:
C8H6ClNO2
Molecular Weight:
183.5917
MDL Number:
MFCD18269741
IUPAC Name:
1-chloro-2-isocyanato-4-methoxybenzene
InChI:
InChI=1S/C8H6ClNO2/c1-12-6-2-3-7(9)8(4-6)10-5-11/h2-4H,1H3
InChI Key:
AHGNKGVBOQBDGQ-UHFFFAOYSA-N
SMILES:
O=C=Nc1cc(OC)ccc1Cl
Properties
Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.009g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.591g/mol
Monoisotopic Mass:
183.009g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties