AG003Q84

121303-76-2 | Ethyl 3-methylamino-4,4,4-trifluorocrotonate

AG003Q84

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CAS Number	121303-76-2
Catalog Number	AG003Q84(AGN-PC-0KKMTJ)
Chemical Name	Ethyl 3-methylamino-4,4,4-trifluorocrotonate
IUPAC Name	ethyl (Z)-4,4,4-trifluoro-3-(methylamino)but-2-enoate
InChI	InChI=1S/C7H10F3NO2/c1-3-13-6(12)4-5(11-2)7(8,9)10/h4,11H,3H2,1-2H3/b5-4-
InChI Key	NDCZMOSQVJGZCK-PLNGDYQASA-N
MDL Number	MFCD01075682
Molecular Formula	C7H10F3NO2
Molecular Weight	197.1550
SMILES	O=C(OCC)/C=C(NC)/C(F)(F)F
Synonyms	ethyl 4,4,4-trifluoro-3-(methylamino)but-2-enoate, 121303-76-2, Ethyl 3-methylamino-4,4,4-trifluorocrotonate, HkNDpJePdDdLdLbdLRtrjiijAEP, ethyl (2Z)-4,4,4-trifluoro-3-(methylamino)but-2-enoate, ethyl3-methylamino-4,4,4-trifluorocrotonate, ethyl-3-(n-methylamino)-4,4,4 trifluorocrotonate, AC1NWJ3K, SCHEMBL1573403, NDCZMOSQVJGZCK-PLNGDYQASA-N, SBB057937, ZINC15913768, AKOS005063441, AJ-67990, AK117525, AX8158974, DB-001373, ST50825413, 3-methylamino-4,4,4-trifluorocrotonic ethyl ester, 3S109263, 3S210863, 4,4,4-trifluoro-3-methylamino-crotonic acid ethyl ester, ethyl (Z)-4,4,4-trifluoro-3-(methylamino)but-2-enoate, CID5706459, 3-methylamino-4,4,4-trifluorobut-2-enoic acid ethyl ester, 507448-65-9,

Complexity	210
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	197.066g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	197.157g/mol
Monoisotopic Mass	197.066g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314-H318
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 2735

Certificate of Analysis

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