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1197181-29-5 | 1H-Indole, 5-chloro-7-nitro-
CAS No: 1197181-29-5 Catalog No: AG000PJA MDL No:MFCD20923231
Product Description
Catalog Number:
AG000PJA
Chemical Name:
1H-Indole, 5-chloro-7-nitro-
CAS Number:
1197181-29-5
Molecular Formula:
C8H5ClN2O2
Molecular Weight:
196.5905
MDL Number:
MFCD20923231
IUPAC Name:
5-chloro-7-nitro-1H-indole
InChI:
InChI=1S/C8H5ClN2O2/c9-6-3-5-1-2-10-8(5)7(4-6)11(12)13/h1-4,10H
InChI Key:
FNZMFDOFIZJRNY-UHFFFAOYSA-N
SMILES:
Clc1cc2cc[nH]c2c(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:
3.3
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