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1260913-53-8 | Ethanone, 1-(4-amino-3-chloro-5-fluoro-2-methylphenyl)-
CAS No: 1260913-53-8 Catalog No: AG000RLM MDL No:MFCD11848269
Product Description
Catalog Number:
AG000RLM
Chemical Name:
Ethanone, 1-(4-amino-3-chloro-5-fluoro-2-methylphenyl)-
CAS Number:
1260913-53-8
Molecular Formula:
C9H9ClFNO
Molecular Weight:
201.6253
MDL Number:
MFCD11848269
IUPAC Name:
1-(4-amino-3-chloro-5-fluoro-2-methylphenyl)ethanone
InChI:
InChI=1S/C9H9ClFNO/c1-4-6(5(2)13)3-7(11)9(12)8(4)10/h3H,12H2,1-2H3
InChI Key:
AGLCOPOWPQOTNF-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc(F)c(c(c1C)Cl)N
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.036g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.625g/mol
Monoisotopic Mass:
201.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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