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16492-75-4 | 1,2,3-Benzenetriol, 5-broMo-
CAS No: 16492-75-4 Catalog No: AG001V64 MDL No:MFCD22555992
Product Description
Catalog Number:
AG001V64
Chemical Name:
1,2,3-Benzenetriol, 5-broMo-
CAS Number:
16492-75-4
Molecular Formula:
C6H5BrO3
Molecular Weight:
205.0061
MDL Number:
MFCD22555992
IUPAC Name:
5-bromobenzene-1,2,3-triol
InChI:
InChI=1S/C6H5BrO3/c7-3-1-4(8)6(10)5(9)2-3/h1-2,8-10H
InChI Key:
GZKWULQSPPFVMV-UHFFFAOYSA-N
SMILES:
Brc1cc(O)c(c(c1)O)O
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.942g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
205.007g/mol
Monoisotopic Mass:
203.942g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Triostin A derived hybrid for simultaneous DNA binding and metal coordination. | Amino acids 20110701 |
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