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Home > Fluorides > 1003858-69-2
1003858-69-2 | 1H-Indole, 4-fluoro-5-nitro-
CAS No: 1003858-69-2 Catalog No: AG0001UP MDL No:MFCD26408173
Product Description
Catalog Number:
AG0001UP
Chemical Name:
1H-Indole, 4-fluoro-5-nitro-
CAS Number:
1003858-69-2
Molecular Formula:
C8H5FN2O2
Molecular Weight:
180.1359
MDL Number:
MFCD26408173
IUPAC Name:
4-fluoro-5-nitro-1H-indole
InChI:
InChI=1S/C8H5FN2O2/c9-8-5-3-4-10-6(5)1-2-7(8)11(12)13/h1-4,10H
InChI Key:
UTYWHDIQWCMUNW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1F)cc[nH]2
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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