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1260913-32-3 | Ethanone, 1-(4-amino-2-fluoro-3-methylphenyl)-
CAS No: 1260913-32-3 Catalog No: AG000RLS MDL No:
Product Description
Catalog Number:
AG000RLS
Chemical Name:
Ethanone, 1-(4-amino-2-fluoro-3-methylphenyl)-
CAS Number:
1260913-32-3
Molecular Formula:
C9H10FNO
Molecular Weight:
167.1802
IUPAC Name:
1-(4-amino-2-fluoro-3-methylphenyl)ethanone
InChI:
InChI=1S/C9H10FNO/c1-5-8(11)4-3-7(6(2)12)9(5)10/h3-4H,11H2,1-2H3
InChI Key:
BBLTZZQUCMMVOY-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(c(c1F)C)N
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.075g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.183g/mol
Monoisotopic Mass:
167.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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