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Home > Fluorides > 188982-54-9
188982-54-9 | 1H-Indole, 4-fluoro-2,3-dihydro-2-(1-methyl-1H-imidazol-4-yl)-
CAS No: 188982-54-9 Catalog No: AG002HN0 MDL No:
Product Description
Catalog Number:
AG002HN0
Chemical Name:
1H-Indole, 4-fluoro-2,3-dihydro-2-(1-methyl-1H-imidazol-4-yl)-
CAS Number:
188982-54-9
Molecular Formula:
C12H12FN3
Molecular Weight:
217.2422
IUPAC Name:
4-fluoro-2-(1-methylimidazol-4-yl)-2,3-dihydro-1H-indole
InChI:
InChI=1S/C12H12FN3/c1-16-6-12(14-7-16)11-5-8-9(13)3-2-4-10(8)15-11/h2-4,6-7,11,15H,5H2,1H3
InChI Key:
PIPYENSFVXWUKM-UHFFFAOYSA-N
SMILES:
Cn1cnc(c1)C1Nc2c(C1)c(F)ccc2
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.102g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.247g/mol
Monoisotopic Mass:
217.102g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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