Name: Name:Benzoic acid, 3-bromo-5-chloro-4-methyl-, methyl ester
Brand: Angene
SKU: AG0028ZC
Rating: 90 (10 reviews)

Benzoic acid, 3-bromo-5-chloro-4-methyl-, methyl ester

CAS No.:

203573-07-3

Catalog Number:

AG0028ZC

Molecular Formula:

C9H8BrClO2

Molecular Weight:

263.5156

Catalog Number:

AG0028ZC

Chemical Name:

Benzoic acid, 3-bromo-5-chloro-4-methyl-, methyl ester

CAS Number:

203573-07-3

Molecular Formula:

C9H8BrClO2

Molecular Weight:

263.5156

MDL Number:

MFCD11557543

IUPAC Name:

methyl 3-bromo-5-chloro-4-methylbenzoate

InChI:

InChI=1S/C9H8BrClO2/c1-5-7(10)3-6(4-8(5)11)9(12)13-2/h3-4H,1-2H3

InChI Key:

RJBFECHQHQLAFJ-UHFFFAOYSA-N

SMILES:

COC(=O)c1cc(Cl)c(c(c1)Br)C

Complexity:

198

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

261.94g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

263.515g/mol

Monoisotopic Mass:

261.94g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5