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Home > Bromides > 1396967-45-5
1396967-45-5 | Benzeneacetic acid, 3-bromo-α-(diethoxyphosphinyl)-, methyl ester
CAS No: 1396967-45-5 Catalog No: AG001BI8 MDL No:MFCD11847989
Product Description
Catalog Number:
AG001BI8
Chemical Name:
Benzeneacetic acid, 3-bromo-α-(diethoxyphosphinyl)-, methyl ester
CAS Number:
1396967-45-5
Molecular Formula:
C13H18BrO5P
Molecular Weight:
365.1568
MDL Number:
MFCD11847989
IUPAC Name:
methyl 2-(3-bromophenyl)-2-diethoxyphosphorylacetate
InChI:
InChI=1S/C13H18BrO5P/c1-4-18-20(16,19-5-2)12(13(15)17-3)10-7-6-8-11(14)9-10/h6-9,12H,4-5H2,1-3H3
InChI Key:
UUXJMHATVLWJSX-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C(c1cccc(c1)Br)C(=O)OC)OCC
Properties
Complexity:
353
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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