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100063-17-0 | 1,3-Benzenediol, 4-(phenylamino)-
CAS No: 100063-17-0 Catalog No: AG0000TC MDL No:
Product Description
Catalog Number:
AG0000TC
Chemical Name:
1,3-Benzenediol, 4-(phenylamino)-
CAS Number:
100063-17-0
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
IUPAC Name:
4-anilinobenzene-1,3-diol
InChI:
InChI=1S/C12H11NO2/c14-10-6-7-11(12(15)8-10)13-9-4-2-1-3-5-9/h1-8,13-15H
InChI Key:
WIIVQKHIBRVVRV-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)O)Nc1ccccc1
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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