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87873-72-1 | 3-Phenoxyphenyl isocyanate
CAS No: 87873-72-1 Catalog No: AG003JV2 MDL No:MFCD01863578
Product Description
Catalog Number:
AG003JV2
Chemical Name:
3-Phenoxyphenyl isocyanate
CAS Number:
87873-72-1
Molecular Formula:
C13H9NO2
Molecular Weight:
211.2161
MDL Number:
MFCD01863578
IUPAC Name:
1-isocyanato-3-phenoxybenzene
InChI:
InChI=1S/C13H9NO2/c15-10-14-11-5-4-8-13(9-11)16-12-6-2-1-3-7-12/h1-9H
InChI Key:
HOJSXCMKZBXNEN-UHFFFAOYSA-N
SMILES:
O=C=Nc1cccc(c1)Oc1ccccc1
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.063g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.22g/mol
Monoisotopic Mass:
211.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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