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1260913-54-9 | Ethanone, 1-(4-amino-3,5-difluoro-2-methoxyphenyl)-
CAS No: 1260913-54-9 Catalog No: AG000RLL MDL No:
Product Description
Catalog Number:
AG000RLL
Chemical Name:
Ethanone, 1-(4-amino-3,5-difluoro-2-methoxyphenyl)-
CAS Number:
1260913-54-9
Molecular Formula:
C9H9F2NO2
Molecular Weight:
201.1701
IUPAC Name:
1-(4-amino-3,5-difluoro-2-methoxyphenyl)ethanone
InChI:
InChI=1S/C9H9F2NO2/c1-4(13)5-3-6(10)8(12)7(11)9(5)14-2/h3H,12H2,1-2H3
InChI Key:
WPVUHOYTFWJPEN-UHFFFAOYSA-N
SMILES:
COc1c(cc(c(c1F)N)F)C(=O)C
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.06g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.173g/mol
Monoisotopic Mass:
201.06g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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