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1242137-21-8 | Alanine, N-[4-(aminocarbonyl)-3-fluorophenyl]-2-methyl-, methyl ester
CAS No: 1242137-21-8 Catalog No: AG000LNX MDL No:
Product Description
Catalog Number:
AG000LNX
Chemical Name:
Alanine, N-[4-(aminocarbonyl)-3-fluorophenyl]-2-methyl-, methyl ester
CAS Number:
1242137-21-8
Molecular Formula:
C12H15FN2O3
Molecular Weight:
254.2575
IUPAC Name:
methyl 2-(4-carbamoyl-3-fluoroanilino)-2-methylpropanoate
InChI:
InChI=1S/C12H15FN2O3/c1-12(2,11(17)18-3)15-7-4-5-8(10(14)16)9(13)6-7/h4-6,15H,1-3H3,(H2,14,16)
InChI Key:
RKZPPQSTEMLROE-UHFFFAOYSA-N
SMILES:
COC(=O)C(Nc1ccc(c(c1)F)C(=O)N)(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:
2
Isotope Atom Count:
0
Molecular Weight:
254.261g/mol
Monoisotopic Mass:
254.107g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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