Name: Name:Benzoic acid, 4-(3-bromo-4-formylphenoxy)-, ethyl ester
Brand: Angene
SKU: AG000PEJ
Rating: 90 (10 reviews)

Benzoic acid, 4-(3-bromo-4-formylphenoxy)-, ethyl ester

CAS No.:

1196474-68-6

Catalog Number:

AG000PEJ

Molecular Formula:

C16H13BrO4

Molecular Weight:

349.1760

Catalog Number:

AG000PEJ

Chemical Name:

Benzoic acid, 4-(3-bromo-4-formylphenoxy)-, ethyl ester

CAS Number:

1196474-68-6

Molecular Formula:

C16H13BrO4

Molecular Weight:

349.1760

MDL Number:

MFCD18206333

IUPAC Name:

ethyl 4-(3-bromo-4-formylphenoxy)benzoate

InChI:

InChI=1S/C16H13BrO4/c1-2-20-16(19)11-3-6-13(7-4-11)21-14-8-5-12(10-18)15(17)9-14/h3-10H,2H2,1H3

InChI Key:

ZETWHASWJSGZSB-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1ccc(cc1)Oc1ccc(c(c1)Br)C=O

Complexity:

352

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

348g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

349.18g/mol

Monoisotopic Mass:

348g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.8