200,000+ products from a single source!
sales@angenechem.com
88952-07-2 | Benzoic acid, 2-methyl-, 2-acetyl-4-bromophenyl ester
CAS No: 88952-07-2 Catalog No: AG004711 MDL No:
Product Description
Catalog Number:
AG004711
Chemical Name:
Benzoic acid, 2-methyl-, 2-acetyl-4-bromophenyl ester
CAS Number:
88952-07-2
Molecular Formula:
C16H13BrO3
Molecular Weight:
333.1766
IUPAC Name:
(2-acetyl-4-bromophenyl) 2-methylbenzoate
InChI:
InChI=1S/C16H13BrO3/c1-10-5-3-4-6-13(10)16(19)20-15-8-7-12(17)9-14(15)11(2)18/h3-9H,1-2H3
InChI Key:
NSEAOJVPXZJPLO-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)C(=O)C)OC(=O)c1ccccc1C
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.005g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.181g/mol
Monoisotopic Mass:
332.005g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.