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100859-41-4 | 1,2,3-Benzenetriol, 5-chloro-
CAS No: 100859-41-4 Catalog No: AG000314 MDL No:
Product Description
Catalog Number:
AG000314
Chemical Name:
1,2,3-Benzenetriol, 5-chloro-
CAS Number:
100859-41-4
Molecular Formula:
C6H5ClO3
Molecular Weight:
160.5551
IUPAC Name:
5-chlorobenzene-1,2,3-triol
InChI:
InChI=1S/C6H5ClO3/c7-3-1-4(8)6(10)5(9)2-3/h1-2,8-10H
InChI Key:
GRRARDQBZMDMPU-UHFFFAOYSA-N
SMILES:
Clc1cc(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:
159.993g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
160.553g/mol
Monoisotopic Mass:
159.993g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Potential of Penicillium species in the bioremediation field. | International journal of environmental research and public health 20090401 |
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