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886362-70-5 | Ethyl 5-fluoro-2-methyl-1H-indole-3-carboxylate
CAS No: 886362-70-5 Catalog No: AG004BGN MDL No:MFCD03839920
Product Description
Catalog Number:
AG004BGN
Chemical Name:
Ethyl 5-fluoro-2-methyl-1H-indole-3-carboxylate
CAS Number:
886362-70-5
Molecular Formula:
C12H12FNO2
Molecular Weight:
221.2276
MDL Number:
MFCD03839920
IUPAC Name:
ethyl 5-fluoro-2-methyl-1H-indole-3-carboxylate
InChI:
InChI=1S/C12H12FNO2/c1-3-16-12(15)11-7(2)14-10-5-4-8(13)6-9(10)11/h4-6,14H,3H2,1-2H3
InChI Key:
FORZEOSWWHEOEL-UHFFFAOYSA-N
SMILES:
Cc1c(C(=O)OCC)c2c([nH]1)ccc(c2)F
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.231g/mol
Monoisotopic Mass:
221.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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