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113615-78-4 | Benzene, 1-chloro-2-isocyanato-3-methoxy-
CAS No: 113615-78-4 Catalog No: AG000957 MDL No:
Product Description
Catalog Number:
AG000957
Chemical Name:
Benzene, 1-chloro-2-isocyanato-3-methoxy-
CAS Number:
113615-78-4
Molecular Formula:
C8H6ClNO2
Molecular Weight:
183.5917
IUPAC Name:
1-chloro-2-isocyanato-3-methoxybenzene
InChI:
InChI=1S/C8H6ClNO2/c1-12-7-4-2-3-6(9)8(7)10-5-11/h2-4H,1H3
InChI Key:
AXFVCCBIHVSULB-UHFFFAOYSA-N
SMILES:
O=C=Nc1c(Cl)cccc1OC
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
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