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Home > Bromides > 1396967-62-6
1396967-62-6 | Benzeneacetic acid, 4-bromo-α-(diethoxyphosphinyl)-, methyl ester
CAS No: 1396967-62-6 Catalog No: AG001BI7 MDL No:
Product Description
Catalog Number:
AG001BI7
Chemical Name:
Benzeneacetic acid, 4-bromo-α-(diethoxyphosphinyl)-, methyl ester
CAS Number:
1396967-62-6
Molecular Formula:
C13H18BrO5P
Molecular Weight:
365.1568
IUPAC Name:
methyl 2-(4-bromophenyl)-2-diethoxyphosphorylacetate
InChI:
InChI=1S/C13H18BrO5P/c1-4-18-20(16,19-5-2)12(13(15)17-3)10-6-8-11(14)9-7-10/h6-9,12H,4-5H2,1-3H3
InChI Key:
XPAIDROLSYITIC-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C(c1ccc(cc1)Br)C(=O)OC)OCC
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.008g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
365.16g/mol
Monoisotopic Mass:
364.008g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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