AG0032GL

95713-52-3 | (S)-2-((5-Fluoro-2,4-dinitrophenyl)-amino)propanamide

AG0032GL

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CAS Number	95713-52-3
Catalog Number	AG0032GL(AGN-PC-0OO70A)
Chemical Name	(S)-2-((5-Fluoro-2,4-dinitrophenyl)-amino)propanamide
IUPAC Name	(2S)-2-(5-fluoro-2,4-dinitroanilino)propanamide
InChI	InChI=1S/C9H9FN4O5/c1-4(9(11)15)12-6-2-5(10)7(13(16)17)3-8(6)14(18)19/h2-4,12H,1H3,(H2,11,15)/t4-/m0/s1
InChI Key	NEPLBHLFDJOJGP-BYPYZUCNSA-N
MDL Number	MFCD00042049
Molecular Formula	C9H9FN4O5
Molecular Weight	272.1900
SMILES	FC=1C(=CC(=C(C1)N[C@H](C(=O)N)C)[N+](=O)[O-])[N+](=O)[O-]
Synonyms	1-FD-AA, 1-fluoro-2,4-dinitrophenyl-5-alaninamide, 1-fluoro-2,4-dinitrophenyl-5-L-Ala-NH2, Marfey's reagent, N(2)-(5-fluoro-2,4-dinitrophenyl)alaninamide, 95713-52-3, Marfey's reagent, (S)-2-((5-Fluoro-2,4-dinitrophenyl)amino)propanamide, N-(2,4-Dinitro-5-fluorophenyl)-L-alaninamide, (2S)-2-[(5-fluoro-2,4-dinitrophenyl)amino]propanamide, (2S)-2-(5-fluoro-2,4-dinitroanilino)propanamide, N-(Alpha)-(2,4-Dinitro-5-fluorophenyl)-l-alaninamide, Propanamide, 2-[(5-fluoro-2,4-dinitrophenyl)amino]-, (2S)-, C9H9FN4O5, Nalpha-(2,4-Dinitro-5-fluorophenyl)-L-alaninamide, n-alpha-(2,4-dinitro-5-fluorophenyl)-l-alaninamide, (S)-2-((5-Fluoro-2,4-dinitrophenyl)-amino)propanamide, (2S)-2-[(5-Fluoro-2,4-dinitro-phenyl)amino]propanamide, FDAA, 1-FD-AA, Marfey;s reagent, AC1NUOZR, 1-Fluoro-2,4-dinitrophenyl-5-alaninamide, 1-Fluoro-2,4-dinitrophenyl-5-L-ala-NH2, N(2)-(5-Fluoro-2,4-dinitrophenyl)alaninamide, SCHEMBL932480, AMBZ0030, BIM106, DTXSID60241932, NEPLBHLFDJOJGP-BYPYZUCNSA-N, ZX-AFC001642, EBD47078, KS-00000EP0, ZINC4521442, BBL102906, MFCD00042049, STL556715, AKOS015889060, CM-1334, CS-W020544, GS-4019, AC-27851, AJ-51412, AN-34850, BR-39850, CJ-12091, AB0027874, AX8137233, AM20060761, D2259, FT-0607773, ST24026524, W9769, 1-Fluoro-2,4-dinitrophenyl-5-L-alanine amide, S-3918, Na-(2,4-Dinitro-5-fluorophenyl)-L-alaninamide, 713M523, C-47463, n2-(5-fluoro-2,4-dinitrophenyl)-l-alanine amide, (2S)-2-(5-fluoro-2,4-dinitro-anilino)propanamide, I01-1732, N~2~-(5-fluoro-2,4-dinitrophenyl)-L-alaninamide, Nalpha-(5-Fluoro-2,4-dinitrophenyl)-L-alaninamide, (S)-2-(5-fluoro-2,4-dinitrophenylamino)propanamide, (2S)-2-[(5-Fluoro-2,4-dinitrophenyl)amino]-propanamide, N-alpha-(2,4-Dinitro-5-fluorophenyl)-L-alaninamide, 98%, Nalpha-(2,4-Dinitro-5-fluorophenyl)-L-alaninamide, powder, Propanamide, 2-((5-fluoro-2,4-dinitrophenyl)amino)-, (S)-, Nalpha-(2,4-Dinitro-5-fluorophenyl)-L-alaninamide, for chiral derivatization, >=99.0%, C9-H9-F-N4-O5, Marfey's reagent, 98% - 1G 1g, CID5486955, (S)-2-((5-Fluoro-2,4-dinitrophenyl)amino)propamide, Marfey's Reagent, 99%, for chiral derivatization - 1G 1g,

Complexity	382
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	272.056g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	272.192g/mol
Monoisotopic Mass	272.056g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	147A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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