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88648-11-7 | Phosphinic acid, (1-hydroxyethyl)-, (4-bromophenyl)methyl ester
CAS No: 88648-11-7 Catalog No: AG0049C3 MDL No:
Product Description
Catalog Number:
AG0049C3
Chemical Name:
Phosphinic acid, (1-hydroxyethyl)-, (4-bromophenyl)methyl ester
CAS Number:
88648-11-7
Molecular Formula:
C9H12BrO3P
Molecular Weight:
279.0675
IUPAC Name:
(4-bromophenyl)methoxy-(1-hydroxyethyl)-oxophosphanium
InChI:
InChI=1S/C9H11BrO3P/c1-7(11)14(12)13-6-8-2-4-9(10)5-3-8/h2-5,7,11H,6H2,1H3/q+1
InChI Key:
HFPUBPWLDOCXLG-UHFFFAOYSA-N
SMILES:
CC(P(=O)OCc1ccc(cc1)Br)O
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.963g/mol
Formal Charge:
1
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.062g/mol
Monoisotopic Mass:
276.963g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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