Name: Name:Benzeneacetic acid, 3-bromo-α-(diethoxyphosphinyl)-, methyl ester
Brand: Angene
SKU: AG001BI8
Rating: 90 (10 reviews)

Benzeneacetic acid, 3-bromo-α-(diethoxyphosphinyl)-, methyl ester

CAS No.:

1396967-45-5

Catalog Number:

AG001BI8

Molecular Formula:

C13H18BrO5P

Molecular Weight:

365.1568

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

Complexity:

353

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

364.008g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

365.16g/mol

Monoisotopic Mass:

364.008g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

61.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5