200,000+ products from a single source!
sales@angenechem.com
88952-05-0 | Benzoic acid, 3-methoxy-, 2-acetyl-4-bromophenyl ester
CAS No: 88952-05-0 Catalog No: AG004788 MDL No:
Product Description
Catalog Number:
AG004788
Chemical Name:
Benzoic acid, 3-methoxy-, 2-acetyl-4-bromophenyl ester
CAS Number:
88952-05-0
Molecular Formula:
C16H13BrO4
Molecular Weight:
349.1760
IUPAC Name:
(2-acetyl-4-bromophenyl) 3-methoxybenzoate
InChI:
InChI=1S/C16H13BrO4/c1-10(18)14-9-12(17)6-7-15(14)21-16(19)11-4-3-5-13(8-11)20-2/h3-9H,1-2H3
InChI Key:
RMDDPZXNRAFBIZ-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C(=O)Oc1ccc(cc1C(=O)C)Br
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.18g/mol
Monoisotopic Mass:
348g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.