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85385-33-7 | 5-Chloro-2-phenoxyphenyl isocyanate
CAS No: 85385-33-7 Catalog No: AG003MNT MDL No:
Product Description
Catalog Number:
AG003MNT
Chemical Name:
5-Chloro-2-phenoxyphenyl isocyanate
CAS Number:
85385-33-7
IUPAC Name:
4-chloro-2-isocyanato-1-phenoxybenzene
InChI:
InChI=1S/C13H8ClNO2/c14-10-6-7-13(12(8-10)15-9-16)17-11-4-2-1-3-5-11/h1-8H
InChI Key:
SCGXZJTXFUNGAL-UHFFFAOYSA-N
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.024g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.662g/mol
Monoisotopic Mass:
245.024g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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