Name: Name:Benzeneacetic acid, 4-bromo-α-(2-methyl-1-oxopropoxy)-
Brand: Angene
SKU: AG0018RF
Rating: 90 (10 reviews)

Benzeneacetic acid, 4-bromo-α-(2-methyl-1-oxopropoxy)-

CAS No.:

1385694-70-1

Catalog Number:

AG0018RF

Molecular Formula:

C12H13BrO4

Molecular Weight:

301.1332

Catalog Number:

AG0018RF

Chemical Name:

Benzeneacetic acid, 4-bromo-α-(2-methyl-1-oxopropoxy)-

CAS Number:

1385694-70-1

Molecular Formula:

C12H13BrO4

Molecular Weight:

301.1332

MDL Number:

MFCD22375693

IUPAC Name:

2-(4-bromophenyl)-2-(2-methylpropanoyloxy)acetic acid

InChI:

InChI=1S/C12H13BrO4/c1-7(2)12(16)17-10(11(14)15)8-3-5-9(13)6-4-8/h3-7,10H,1-2H3,(H,14,15)

InChI Key:

RWHIJSKRSRZFNL-UHFFFAOYSA-N

SMILES:

CC(C(=O)OC(c1ccc(cc1)Br)C(=O)O)C

Complexity:

282

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

300g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

301.136g/mol

Monoisotopic Mass:

300g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1