AG00I7CD

372-29-2 | 2-Butenoic acid, 3-amino-4,4,4-trifluoro-, ethyl ester

AG00I7CD

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CAS Number	372-29-2
Catalog Number	AG00I7CD(AGN-PC-0JMOPN)
Chemical Name	2-Butenoic acid, 3-amino-4,4,4-trifluoro-, ethyl ester
IUPAC Name	ethyl (Z)-3-amino-4,4,4-trifluorobut-2-enoate
InChI	InChI=1S/C6H8F3NO2/c1-2-12-5(11)3-4(10)6(7,8)9/h3H,2,10H2,1H3/b4-3-
InChI Key	NXVKRKUGIINGHD-ARJAWSKDSA-N
MDL Number	MFCD00068195
Molecular Formula	C6H8F3NO2
Molecular Weight	183.1284
SMILES	NC(=C/C(=O)OCC)C(F)(F)F
Synonyms	Ethyl 3-amino-4,4,4-trifluorocrotonate, 372-29-2, ethyl 3-amino-4,4,4-trifluorobut-2-enoate, 141860-78-8, 3-Amino-4,4,4-trifluorocrotonic Acid Ethyl Ester, ethyl (2Z)-3-amino-4,4,4-trifluorobut-2-enoate, NXVKRKUGIINGHD-ARJAWSKDSA-N, ethyl-3-amino-4,4,4-trifluorocrotonate, ethyl (Z)-3-amino-4,4,4-trifluorobut-2-enoate, ethyl (Z)-3-amino-4,4,4-trifluoro-but-2-enoate, Ethyl 3-amino-4,4,4-trifluoro-2-butenoate, HcvDpJFPdDdLdLbdLrfUULu@bh, ethyl3-amino-4,4,4-trifluorocrotonate, AC1NWBHO, 4,4,4-trifluoro-3-amino-2-butenoic acid ethyl ester, AC1Q4ID1, SCHEMBL713655, NXVKRKUGIINGHD-ARJAWSKDSA-, SBB006653, ZINC15999733, AKOS005063524, CS-W017064, ethyl 3-amino4,4,4-trifluorocrotonate, NE11165, ethyl 4,4,4-trifluoro-3-aminocrotonate, AJ-68063, AN-44608, CJ-15256, SC-13685, AB0020270, DB-049083, TL8002742, ethyl-3-amino-4,4,4-trifluoro-2-butenoate, ST50307010, V1100, Z3193, 3-amino-4,4,4-trifluorocrotonic ethyl ester, ethyl 3-amino-4,4,4-trifluoro-but-2-enoate, 9F-023, C-4676, (Z)-ethyl 3-amino-4,4,4-trifluorobut-2-enoate, R701736, 3S103741, 3S210970, I14-2437, 2-Butenoic acid, 3-amino-4,4,4-trifluoro-, ethyl ester, (2Z)-, InChI=1/C6H8F3NO2/c1-2-12-5(11)3-4(10)6(7,8)9/h3H,2,10H2,1H3/b4-3-, C6H8F3NO2, AR-1I8782, CID5702529, A1475, METHYL 3-AMINO-4,4,4-TRIFLUOROCROTONATE, 2-Butenoic acid, 3-amino-4,4,4-trifluoro-, ethyl ester, Ethyl 3-amino-4,4,4-trifluorocrotonate, 98.5% - 5g 5g, 107638-19-7, 39077-64-0,

Complexity	198
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	183.051g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	183.13g/mol
Monoisotopic Mass	183.051g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312-H319-H335
Packing Group
Precautionary statements	P280-P301+P312+P330-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number