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1000340-83-9 | 1H-Indole, 6-fluoro-4-nitro-
CAS No: 1000340-83-9 Catalog No: AG0000FF MDL No:MFCD09027054
Product Description
Catalog Number:
AG0000FF
Chemical Name:
1H-Indole, 6-fluoro-4-nitro-
CAS Number:
1000340-83-9
Molecular Formula:
C8H5FN2O2
Molecular Weight:
180.1359
MDL Number:
MFCD09027054
IUPAC Name:
6-fluoro-4-nitro-1H-indole
InChI:
InChI=1S/C8H5FN2O2/c9-5-3-7-6(1-2-10-7)8(4-5)11(12)13/h1-4,10H
InChI Key:
QPJOZMDIVCTTCI-UHFFFAOYSA-N
SMILES:
Fc1cc2[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:
180.034g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.138g/mol
Monoisotopic Mass:
180.034g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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