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1193386-44-5 | Benzenepropanamide, β-amino-2-chloro-6-fluoro-N-methyl-
CAS No: 1193386-44-5 Catalog No: AG000IM2 MDL No:
Product Description
Catalog Number:
AG000IM2
Chemical Name:
Benzenepropanamide, β-amino-2-chloro-6-fluoro-N-methyl-
CAS Number:
1193386-44-5
Molecular Formula:
C10H12ClFN2O
Molecular Weight:
230.6665
IUPAC Name:
3-amino-3-(2-chloro-6-fluorophenyl)-N-methylpropanamide
InChI:
InChI=1S/C10H12ClFN2O/c1-14-9(15)5-8(13)10-6(11)3-2-4-7(10)12/h2-4,8H,5,13H2,1H3,(H,14,15)
InChI Key:
WJIHCGUHCBAXFN-UHFFFAOYSA-N
SMILES:
CNC(=O)CC(c1c(F)cccc1Cl)N
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.062g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.667g/mol
Monoisotopic Mass:
230.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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