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160348-98-1 | Benzoic acid, 5-bromo-2,4-dihydroxy-, hydrate (1:1)
CAS No: 160348-98-1 Catalog No: AG001RUE MDL No:MFCD00149094
Product Description
Catalog Number:
AG001RUE
Chemical Name:
Benzoic acid, 5-bromo-2,4-dihydroxy-, hydrate (1:1)
CAS Number:
160348-98-1
Molecular Formula:
C7H7BrO5
Molecular Weight:
251.0315
MDL Number:
MFCD00149094
IUPAC Name:
5-bromo-2,4-dihydroxybenzoic acid;hydrate
InChI:
InChI=1S/C7H5BrO4.H2O/c8-4-1-3(7(11)12)5(9)2-6(4)10;/h1-2,9-10H,(H,11,12);1H2
InChI Key:
MRIKDYLDHHINRD-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(Br)c(cc1O)O.O
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.948g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
251.032g/mol
Monoisotopic Mass:
249.948g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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