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23159-72-0 | Phenol, 4-isocyanato-
CAS No: 23159-72-0 Catalog No: AG002MEE MDL No:
Product Description
Catalog Number:
AG002MEE
Chemical Name:
Phenol, 4-isocyanato-
CAS Number:
23159-72-0
Molecular Formula:
C7H5NO2
Molecular Weight:
135.1201
IUPAC Name:
4-isocyanatophenol
InChI:
InChI=1S/C7H5NO2/c9-5-8-6-1-3-7(10)4-2-6/h1-4,10H
InChI Key:
DYKCDKICHOCWGU-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(cc1)O
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.032g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
135.122g/mol
Monoisotopic Mass:
135.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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