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Home > Fluorides > 1167056-12-3
1167056-12-3 | 1H-Indole, 4-fluoro-2,3-dihydro-7-nitro-
CAS No: 1167056-12-3 Catalog No: AG000D2F MDL No:MFCD12405174
Product Description
Catalog Number:
AG000D2F
Chemical Name:
1H-Indole, 4-fluoro-2,3-dihydro-7-nitro-
CAS Number:
1167056-12-3
Molecular Formula:
C8H7FN2O2
Molecular Weight:
182.1518
MDL Number:
MFCD12405174
IUPAC Name:
4-fluoro-7-nitro-2,3-dihydro-1H-indole
InChI:
InChI=1S/C8H7FN2O2/c9-6-1-2-7(11(12)13)8-5(6)3-4-10-8/h1-2,10H,3-4H2
InChI Key:
PAVIDRYITUVQFL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c2c1NCC2)F
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.049g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.154g/mol
Monoisotopic Mass:
182.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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