200,000+ products from a single source!
sales@angenechem.com
116-69-8 | 1,2-Benzenedicarboxylic acid, 3-bromo-
CAS No: 116-69-8 Catalog No: AG000BCF MDL No:MFCD17069368
Product Description
Catalog Number:
AG000BCF
Chemical Name:
1,2-Benzenedicarboxylic acid, 3-bromo-
CAS Number:
116-69-8
Molecular Formula:
C8H5BrO4
Molecular Weight:
245.0269
MDL Number:
MFCD17069368
IUPAC Name:
3-bromophthalic acid
InChI:
InChI=1S/C8H5BrO4/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChI Key:
OIGFNQRFPUUACU-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(Br)cccc1C(=O)O
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:
1.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.