200,000+ products from a single source!
sales@angenechem.com
77143-72-7 | 5-Benzofuranaceticacid, 3-(4-bromophenyl)-2,3-dihydro-a-methyl-2-oxo-
CAS No: 77143-72-7 Catalog No: AG005DUZ MDL No:
Product Description
Catalog Number:
AG005DUZ
Chemical Name:
5-Benzofuranaceticacid, 3-(4-bromophenyl)-2,3-dihydro-a-methyl-2-oxo-
CAS Number:
77143-72-7
Molecular Formula:
C17H13BrO4
Molecular Weight:
361.1867
IUPAC Name:
2-[3-(4-bromophenyl)-2-oxo-3H-1-benzofuran-5-yl]propanoic acid
InChI:
InChI=1S/C17H13BrO4/c1-9(16(19)20)11-4-7-14-13(8-11)15(17(21)22-14)10-2-5-12(18)6-3-10/h2-9,15H,1H3,(H,19,20)
InChI Key:
PBZRXUVCWYIJPW-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C1C(=O)Oc2c1cc(cc2)C(C(=O)O)C
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
361.191g/mol
Monoisotopic Mass:
360g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.