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1289942-66-0 | Alanine, N-[3-fluoro-4-[(methylamino)carbonyl]phenyl]-2-methyl-
CAS No: 1289942-66-0 Catalog No: AG000YQJ MDL No:MFCD22581651
Product Description
Catalog Number:
AG000YQJ
Chemical Name:
Alanine, N-[3-fluoro-4-[(methylamino)carbonyl]phenyl]-2-methyl-
CAS Number:
1289942-66-0
Molecular Formula:
C12H15FN2O3
Molecular Weight:
254.2575
MDL Number:
MFCD22581651
IUPAC Name:
2-[3-fluoro-4-(methylcarbamoyl)anilino]-2-methylpropanoic acid
InChI:
InChI=1S/C12H15FN2O3/c1-12(2,11(17)18)15-7-4-5-8(9(13)6-7)10(16)14-3/h4-6,15H,1-3H3,(H,14,16)(H,17,18)
InChI Key:
IAAHEGARPMZSTJ-UHFFFAOYSA-N
SMILES:
CNC(=O)c1ccc(cc1F)NC(C(=O)O)(C)C
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.107g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
254.261g/mol
Monoisotopic Mass:
254.107g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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