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Home > Fluorides > 1227561-74-1
1227561-74-1 | 1H-Indole, 5-fluoro-7-methoxy-
CAS No: 1227561-74-1 Catalog No: AG000JAL MDL No:MFCD16611162
Product Description
Catalog Number:
AG000JAL
Chemical Name:
1H-Indole, 5-fluoro-7-methoxy-
CAS Number:
1227561-74-1
Molecular Formula:
C9H8FNO
Molecular Weight:
165.1643
MDL Number:
MFCD16611162
IUPAC Name:
5-fluoro-7-methoxy-1H-indole
InChI:
InChI=1S/C9H8FNO/c1-12-8-5-7(10)4-6-2-3-11-9(6)8/h2-5,11H,1H3
InChI Key:
RQYIWZSWASICJY-UHFFFAOYSA-N
SMILES:
COc1cc(F)cc2c1[nH]cc2
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.167g/mol
Monoisotopic Mass:
165.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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