200,000+ products from a single source!
sales@angenechem.com
208457-45-8 | 1,2-Benzenedicarboxylic acid, 4-bromo-, 2-methyl ester
CAS No: 208457-45-8 Catalog No: AG002JPT MDL No:
Product Description
Catalog Number:
AG002JPT
Chemical Name:
1,2-Benzenedicarboxylic acid, 4-bromo-, 2-methyl ester
CAS Number:
208457-45-8
Molecular Formula:
C9H6BrO4-
Molecular Weight:
258.0455
IUPAC Name:
4-bromo-2-methoxycarbonylbenzoate
InChI:
InChI=1S/C9H7BrO4/c1-14-9(13)7-4-5(10)2-3-6(7)8(11)12/h2-4H,1H3,(H,11,12)/p-1
InChI Key:
CGZFKHATVZXBFS-UHFFFAOYSA-M
SMILES:
[O-]C(=O)c1ccc(cc1C(=O)OC)Br
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.945g/mol
Formal Charge:
-1
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.047g/mol
Monoisotopic Mass:
256.945g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.4A^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.