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13291-46-8 | 1,4-Benzenediol, 2-(diphenylphosphinyl)-
CAS No: 13291-46-8 Catalog No: AG0011DM MDL No:
Product Description
Catalog Number:
AG0011DM
Chemical Name:
1,4-Benzenediol, 2-(diphenylphosphinyl)-
CAS Number:
13291-46-8
Molecular Formula:
C18H15O3P
Molecular Weight:
310.2837
IUPAC Name:
2-diphenylphosphorylbenzene-1,4-diol
InChI:
InChI=1S/C18H15O3P/c19-14-11-12-17(20)18(13-14)22(21,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,19-20H
InChI Key:
LLOXZCFOAUCDAE-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)P(=O)(c1ccccc1)c1ccccc1)O
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.076g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
310.289g/mol
Monoisotopic Mass:
310.076g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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