AG003EQB

105392-26-5 | Methyl 3-(cyclopropylamino)-2-(2,4-dichloro-5-fluorobenzoyl)acrylate

AG003EQB

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CAS Number	105392-26-5
Catalog Number	AG003EQB(AGN-PC-0OUOMK)
Chemical Name	Methyl 3-(cyclopropylamino)-2-(2,4-dichloro-5-fluorobenzoyl)acrylate
IUPAC Name	methyl 2-(cyclopropyliminomethyl)-3-(2,4-dichloro-5-fluorophenyl)-3-hydroxyprop-2-enoate
InChI	InChI=1S/C14H12Cl2FNO3/c1-21-14(20)9(6-18-7-2-3-7)13(19)8-4-12(17)11(16)5-10(8)15/h4-7,19H,2-3H2,1H3
InChI Key	SOERDDQRVKVCEI-UHFFFAOYSA-N
MDL Number	MFCD02683487
Molecular Formula	C14H12Cl2FNO3
Molecular Weight	332.1544
SMILES	ClC2(=C(F)C=C(C(=O)C(C(=O)OC)=CNC1(CC1))C(=C2)Cl)
Synonyms	Methyl 3-(cyclopropylamino)-2-(2,4-dichloro-5-fluorobenzoyl)acrylate, 105392-26-5, ACMC-1CBYY, 2-(2,4-Dichloro-5-Fluoro-Benzoyl)-3-Cyclopylamino-Acrylic-Methylester, CTK4A3807, KS-00003QYC, 2-(2,4-DICHLORO-5-FLUORO BENZOYL)-3-CYCLOPROPYLAMINO-ACRYLIC-METHYL ESTER, YCDBNUJZSAFBIY-UHFFFAOYSA-N, ZINC100038119, ZINC100112810, TRA-0205028, AJ-34275, FT-0653513, methyl 3-cyclopropylamino-2-(2,4-dichloro-5-fluorobenzoyl)acrylate, (E)-methyl 3-(cyclopropylamino)-2-(2,4-dichloro-5-fluorobenzoyl)acrylate, (Z)-methyl 3-(cyclopropylamino)-2-(2,4-dichloro-5-fluorobenzoyl)acrylate, (E)-2-(2,4-Dichloro-5-fluorobenzoyl)-3-(cyclopropylamino)acrylic acid methyl ester, 2-(2,4-Dichloro-5-fluorobenzoyl)-3-(cyclopropylamino)acrylic acid methyl ester, methyl 2-(cyclopropyliminomethyl)-3-(2,4-dichloro-5-fluorophenyl)-3-hydroxyprop-2-enoate, Benzenepropanoic acid, 2,4-dichloro-|A-[(cyclopropylamino)methylene]-5-fluoro-|A-oxo-, methyl ester, Benzenepropanoic acid, 2,4-dichloro-alpha-[(cyclopropylamino)methylene]-5-fluoro-beta-oxo-, methyl ester, Cipro acrylic methyl ester, C14 H12 Cl2 F N O3, 2-(2,4-Dichloro-5-fluorobenzoyl)-3-cyclopropylaminoacrylic acid, methyl ester, mixture of isomers,

Complexity	465
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	331.018g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	332.152g/mol
Monoisotopic Mass	331.018g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	58.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	1
XLogP3	3.9

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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