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1167056-13-4 | 1H-Indole, 4-chloro-1-hydroxy-6-nitro-
CAS No: 1167056-13-4 Catalog No: AG000D2E MDL No:
Product Description
Catalog Number:
AG000D2E
Chemical Name:
1H-Indole, 4-chloro-1-hydroxy-6-nitro-
CAS Number:
1167056-13-4
Molecular Formula:
C8H5ClN2O3
Molecular Weight:
212.5899
IUPAC Name:
4-chloro-1-hydroxy-6-nitroindole
InChI:
InChI=1S/C8H5ClN2O3/c9-7-3-5(11(13)14)4-8-6(7)1-2-10(8)12/h1-4,12H
InChI Key:
HISWFFCUTSXRFX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(Cl)c2c(c1)n(O)cc2
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.999g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.589g/mol
Monoisotopic Mass:
211.999g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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