200,000+ products from a single source!
sales@angenechem.com
6939-93-1 | 4-Bromoisophthalic acid
CAS No: 6939-93-1 Catalog No: AG003L03 MDL No:MFCD00002404
Product Description
Catalog Number:
AG003L03
Chemical Name:
4-Bromoisophthalic acid
CAS Number:
6939-93-1
Molecular Formula:
C8H5BrO4
Molecular Weight:
245.0269
MDL Number:
MFCD00002404
IUPAC Name:
4-bromobenzene-1,3-dicarboxylic acid
InChI:
InChI=1S/C8H5BrO4/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChI Key:
MSQIEZXCNYUWHN-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)C(=O)O)Br
EC Number:
230-078-3
NSC Number:
38770
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.937g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.028g/mol
Monoisotopic Mass:
243.937g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Methyl 7-meth-oxy-9-oxo-9H-xanthene-2-carboxyl-ate. | Acta crystallographica. Section E, Structure reports online 20090301 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.