Name: Name:3-(4-bromo-3-methylphenyl)pentanedioic acid
Brand: Angene
SKU: AG01AFXU
Rating: 90 (10 reviews)

3-(4-bromo-3-methylphenyl)pentanedioic acid

CAS No.:

1797015-21-4

Catalog Number:

AG01AFXU

Molecular Formula:

C12H13BrO4

Molecular Weight:

301.1332

Catalog Number:

AG01AFXU

Chemical Name:

3-(4-bromo-3-methylphenyl)pentanedioic acid

CAS Number:

1797015-21-4

Molecular Formula:

C12H13BrO4

Molecular Weight:

301.1332

MDL Number:

MFCD27920267

IUPAC Name:

3-(4-bromo-3-methylphenyl)pentanedioic acid

InChI:

InChI=1S/C12H13BrO4/c1-7-4-8(2-3-10(7)13)9(5-11(14)15)6-12(16)17/h2-4,9H,5-6H2,1H3,(H,14,15)(H,16,17)

InChI Key:

BNNXNTIECPGWRX-UHFFFAOYSA-N

SMILES:

OC(=O)CC(c1ccc(c(c1)C)Br)CC(=O)O

Complexity:

276

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:

74.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: