AG003Q9E

25597-16-4 | Ethyl 4,4,4-trifluorobut-2-enoate

AG003Q9E

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CAS Number	25597-16-4
Catalog Number	AG003Q9E(AGN-PC-0O8BCR)
Chemical Name	Ethyl 4,4,4-trifluorobut-2-enoate
IUPAC Name	ethyl (E)-4,4,4-trifluorobut-2-enoate
InChI	InChI=1S/C6H7F3O2/c1-2-11-5(10)3-4-6(7,8)9/h3-4H,2H2,1H3/b4-3+
InChI Key	ZKRJCMKLCDWROR-ONEGZZNKSA-N
MDL Number	MFCD00009903
Molecular Formula	C6H7F3O2
Molecular Weight	168.1138
NSC Number	374114
SMILES	FC(/C=C/C(=O)OCC)(F)F
Synonyms	Ethyl 4,4,4-trifluorocrotonate, 25597-16-4, ethyl (2E)-4,4,4-trifluorobut-2-enoate, 406-10-0, (E)-ETHYL 4,4,4-TRIFLUOROBUT-2-ENOATE, ethyl4,4,4-trifluorocrotonate, 4,4,4-Trifluorocrotonic Acid Ethyl Ester, ethyl (E)-4,4,4-trifluorobut-2-enoate, ethyl-4,4,4-trifluorocrotonate, ZKRJCMKLCDWROR-ONEGZZNKSA-N, ethyl 4,4,4-trifluorobut-2-enoate, MFCD00009903, Ethyl 4,4,4-trifluorocrotonate, 98%, 2-Butenoic acid, 4,4,4-trifluoro-, ethyl ester, (2E)-, NSC374114, ethyl trifluorocrotonate, AC1NSW7V, AC1Q31PY, HmTDpNDIAICICHiBeLjifhDE@, SCHEMBL195983, SCHEMBL195984, Ethyl-4,4,4-triflurocrotonate, ethyl4,4,4-trifluoro-crotonate, ZKRJCMKLCDWROR-ONEGZZNKSA-, ethyl 4, 4,4-trifluorocrotonate, ethyl 4,4,4-trifluoro-crotonate, CS-B1754, ZINC1589273, 8498AD, SBB088135, ethyl (E)-4,4,4-trifluorocrotonate, AKOS005063525, trans-Ethyl 4,4,4-trifluorocrotonate, AB01000, AN-5035, ethyl 4,4,4-trifluoro-(E)-butenoate, NSC-374114, RP23064, RTR-011664, AS-30104, CJ-25401, SC-22576, Ethyl 4,4,4-trifluoro-trans-2-butenoate, Ethyl trans-4,4,4-trifluorobut-2-enoate, AB0055660, Ethyl (2E)-4,4,4-trifluoro-2-butenoate, TC-071217, TL8002075, TR-011664, AM20090309, E0772, ST51038109, EN300-51154, Ethyl (2E)-4,4,4-trifluoro-2-butenoate #, 4,4,4-trifluoro-but-2-enoic acid ethyl ester, Y-9408, 597E164, 3S102598, 3S210975, J-016064, J-521320, I14-10557, F8881-7852, 2-BUTENOIC ACID,4,4,4-TRIFLUORO-,ETHYL ESTER,(2E)-, InChI=1/C6H7F3O2/c1-2-11-5(10)3-4-6(7,8)9/h3-4H,2H2,1H3/b4-3+, C6H7F3O2, Ethyl 4,4,4-trifluorocrotonate 1kg, CID5371261, Ethyl 4,4,4-trifluorocrotonate, 98% - 1G 1g, 4,4,4-TRIFLUORO-2-BUTENOIC ACID ETHYL ESTER, 2-BUTENOIC ACID, 4,4,4-TRIFLUORO-, ETHYL ESTER,

Complexity	160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	168.04g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	168.115g/mol
Monoisotopic Mass	168.04g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H226-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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