Name: Name:Benzoic acid, 4-bromo-2-hydroxy-, 1,1-dimethylethyl ester
Brand: Angene
SKU: AG00IFJ3
Rating: 90 (10 reviews)

Benzoic acid, 4-bromo-2-hydroxy-, 1,1-dimethylethyl ester

CAS No.:

889858-09-7

Catalog Number:

AG00IFJ3

Molecular Formula:

C11H13BrO3

Molecular Weight:

273.1231

Catalog Number:

AG00IFJ3

Chemical Name:

Benzoic acid, 4-bromo-2-hydroxy-, 1,1-dimethylethyl ester

CAS Number:

889858-09-7

Molecular Formula:

C11H13BrO3

Molecular Weight:

273.1231

MDL Number:

MFCD19543484

IUPAC Name:

tert-butyl 4-bromo-2-hydroxybenzoate

InChI:

InChI=1S/C11H13BrO3/c1-11(2,3)15-10(14)8-5-4-7(12)6-9(8)13/h4-6,13H,1-3H3

InChI Key:

ZYXVOGMSFFKAMS-UHFFFAOYSA-N

SMILES:

Brc1ccc(c(c1)O)C(=O)OC(C)(C)C

Complexity:

235

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

272.005g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

273.126g/mol

Monoisotopic Mass:

272.005g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.9