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1332524-01-2 | Alanine, N-[3-fluoro-4-[(methylamino)carbonyl]phenyl]-2-methyl-, methyl ester
CAS No: 1332524-01-2 Catalog No: AG0014GP MDL No:MFCD22581652
Product Description
Catalog Number:
AG0014GP
Chemical Name:
Alanine, N-[3-fluoro-4-[(methylamino)carbonyl]phenyl]-2-methyl-, methyl ester
CAS Number:
1332524-01-2
Molecular Formula:
C13H17FN2O3
Molecular Weight:
268.2841
MDL Number:
MFCD22581652
IUPAC Name:
methyl 2-[3-fluoro-4-(methylcarbamoyl)anilino]-2-methylpropanoate
InChI:
InChI=1S/C13H17FN2O3/c1-13(2,12(18)19-4)16-8-5-6-9(10(14)7-8)11(17)15-3/h5-7,16H,1-4H3,(H,15,17)
InChI Key:
MLHUTKWFDCMHQO-UHFFFAOYSA-N
SMILES:
COC(=O)C(Nc1ccc(c(c1)F)C(=O)NC)(C)C
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.122g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
268.288g/mol
Monoisotopic Mass:
268.122g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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