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245524-95-2 | 1H-Indole, 6-chloro-4-nitro-
CAS No: 245524-95-2 Catalog No: AG002OIQ MDL No:MFCD07781454
Product Description
Catalog Number:
AG002OIQ
Chemical Name:
1H-Indole, 6-chloro-4-nitro-
CAS Number:
245524-95-2
Molecular Formula:
C8H5ClN2O2
Molecular Weight:
196.5905
MDL Number:
MFCD07781454
IUPAC Name:
6-chloro-4-nitro-1H-indole
InChI:
InChI=1S/C8H5ClN2O2/c9-5-3-7-6(1-2-10-7)8(4-5)11(12)13/h1-4,10H
InChI Key:
ACHKQFCKHUHNQJ-UHFFFAOYSA-N
SMILES:
Clc1cc2[nH]ccc2c(c1)[N+](=O)[O-]
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.004g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.59g/mol
Monoisotopic Mass:
196.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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