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7355-22-8 | 5-Bromo-2,4-dihydroxybenzoic acid
CAS No: 7355-22-8 Catalog No: AG003MGJ MDL No:MFCD00002452
Product Description
Catalog Number:
AG003MGJ
Chemical Name:
5-Bromo-2,4-dihydroxybenzoic acid
CAS Number:
7355-22-8
Molecular Formula:
C7H5BrO4
Molecular Weight:
233.0162
MDL Number:
MFCD00002452
IUPAC Name:
5-bromo-2,4-dihydroxybenzoic acid
InChI:
InChI=1S/C7H5BrO4/c8-4-1-3(7(11)12)5(9)2-6(4)10/h1-2,9-10H,(H,11,12)
InChI Key:
ZRBCISXJLHZOMS-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(Br)c(cc1O)O
EC Number:
230-881-9
NSC Number:
60106
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.937g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
233.017g/mol
Monoisotopic Mass:
231.937g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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