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59377-19-4 | 4-Phenoxyphenyl Isocyanate
CAS No: 59377-19-4 Catalog No: AG003LYV MDL No:MFCD00013876
Product Description
Catalog Number:
AG003LYV
Chemical Name:
4-Phenoxyphenyl Isocyanate
CAS Number:
59377-19-4
Molecular Formula:
C13H9NO2
Molecular Weight:
211.2161
MDL Number:
MFCD00013876
IUPAC Name:
1-isocyanato-4-phenoxybenzene
InChI:
InChI=1S/C13H9NO2/c15-10-14-11-6-8-13(9-7-11)16-12-4-2-1-3-5-12/h1-9H
InChI Key:
PNBUGOFIKAHZRW-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(cc1)Oc1ccccc1
Properties
Complexity:
247
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:
4.5
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