200,000+ products from a single source!
sales@angenechem.com
89767-79-3 | 1,3-Benzenedipropanoic acid, 4,6-dibromo-
CAS No: 89767-79-3 Catalog No: AG0040J2 MDL No:
Product Description
Catalog Number:
AG0040J2
Chemical Name:
1,3-Benzenedipropanoic acid, 4,6-dibromo-
CAS Number:
89767-79-3
Molecular Formula:
C12H12Br2O4
Molecular Weight:
380.0293
IUPAC Name:
3-[2,4-dibromo-5-(2-carboxyethyl)phenyl]propanoic acid
InChI:
InChI=1S/C12H12Br2O4/c13-9-6-10(14)8(2-4-12(17)18)5-7(9)1-3-11(15)16/h5-6H,1-4H2,(H,15,16)(H,17,18)
InChI Key:
IFOWIWXAMSEBPI-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1cc(CCC(=O)O)c(cc1Br)Br
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.908g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
380.032g/mol
Monoisotopic Mass:
377.91g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.