AG003IAV

779-89-5 | 3-(Trifluoromethyl)cinnamic acid, predominantly trans

AG003IAV

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CAS Number	779-89-5
Catalog Number	AG003IAV(AGN-PC-0JLVR0)
Chemical Name	3-(Trifluoromethyl)cinnamic acid, predominantly trans
IUPAC Name	(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid
InChI	InChI=1S/C10H7F3O2/c11-10(12,13)8-3-1-2-7(6-8)4-5-9(14)15/h1-6H,(H,14,15)/b5-4+
InChI Key	KSBWHDDGWSYETA-SNAWJCMRSA-N
MDL Number	MFCD00004393
Molecular Formula	C10H7F3O2
Molecular Weight	216.1566
SMILES	O=C(O)C=Cc1cccc(c1)C(F)(F)F
UNII	P9LJ9ON37W
Synonyms	3-(Trifluoromethyl)cinnamic acid, 779-89-5, 3-(3-(Trifluoromethyl)phenyl)acrylic acid, m-(trifluoromethyl)cinnamic acid, (E)-3-(Trifluoromethyl)cinnamic acid, 3-Trifluoromethylcinnamic acid, UNII-P9LJ9ON37W, (E)-m-(Trifluoromethyl)cinnamic acid, 3-trifluoromethyl cinnamic acid, 3-[3-(trifluoromethyl)phenyl]acrylic acid, MTF-CNA, (2E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid, 3-[3-(TRIFLUOROMETHYL)PHENYL]-2-PROPENOIC ACID, MFCD00004393, 67801-07-4, trans-3-(trifluoromethyl)cinnamic acid, P9LJ9ON37W, CHEBI:60704, KSBWHDDGWSYETA-SNAWJCMRSA-N, (E)-3-trifluoromethylcinnamic acid, meta-(trifluoromethyl)cinnamic acid, trans-3-trifluoromethylcinnamic acid, (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid, 2-Propenoic acid, 3-[3-(trifluoromethyl)phenyl]-, (2E)-, 3-(3-trifluoromethyl-phenyl)-acrylic acid, (E)-3-(3-(Trifluoromethyl)phenyl)acrylic acid, 3-(3-(Trifluoromethyl)phenyl)-2-propenoic acid, W-104291, 2-Propenoic acid, 3-(3-(trifluoromethyl)phenyl)-, (2E)-, m-Trifluoromethyl cinnamic acid, 3-(3-Trifluoromethylphenyl)acrylic acid, AK-36378, EINECS 212-301-6, EINECS 267-126-8, PubChem2749, AC1LEX5K, m-(Trifluoromethyl)cinnamic acid, (trans)-, SCHEMBL80207, m-trifluoromethyl-cinnamic acid, 3-(Trifluormethyl)cinnamic acid, RARECHEM BK HW 0018, CHEMBL2387748, DTXSID8061135, KSBWHDDGWSYETA-SNAWJCMRSA-, TIMTEC-BB SBB000553, 2-Propenoic acid, 3-[3-(trifluoromethyl)phenyl]-, (E)-, 3-(trifluoromethyl)-cinnamic acid, OTAVA-BB 1512598, ZINC119696, BCP22719, CS-M1820, SBB000553, trans-3-trifluoromethyl-cinnamic acid, 3-(Trifluoromethyl)benzeneacrylic acid, AKOS000119367, AC-9777, AS01925, CM13583, FCH2251545, LS11402, PS-6824, RP17519, RTR-025017, trans-3-(trifluoromethyl)-cinnamic acid, AJ-11615, AN-38229, AN-47604, BBV-39824277, BR-36378, SC-45978, AX8000389, DB-045585, DB-073931, ST2410345, AM20060151, E-3-(3-trifluoromethylphenyl)propenoic acid, ST50308553, T1547, (E)-3-(3-trifluoromethyl-phenyl)-acrylic acid, A-3314, A21722, 779T895, I01-2712, (2E)-3-[3-(Trifluoromethyl)phenyl]-2-propenoic acid #, 3-(Trifluoromethyl)cinnamic acid, predominantly trans, 98%, TRANS-3-[3-(TRIFLUOROMETHYL)PHENYL]PROP-2-ENOIC ACID, 3-[3-(Trifluoromethyl)phenyl]prop-2-enoic acid; Trans-3-(trifluoromethyl)cinnamic acid, InChI=1/C10H7F3O2/c11-10(12,13)8-3-1-2-7(6-8)4-5-9(14)15/h1-6H,(H,14,15)/b5-4+, 3- cinnamicacid, -m- cinnamicacid, 3-(E)-(trifluoromethyl)cinnamic acid, C10H7F3O2, C10-H7-F3-O2, CID719451, ACN-050708, CS-T-45320, 3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid, 2-Propenoic acid, 3-(3-(trifluoromethyl)phenyl)-, 2-Propenoic acid, 3-[3-(trifluoromethyl)phenyl]-, 3-(Trifluoromethyl)cinnamic acid, 99% - 25G 25g, 2143-93-3,

Complexity	258
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	216.04g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	216.159g/mol
Monoisotopic Mass	216.04g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P280g-P261-P305+P351+P338
UN Code

Certificate of Analysis

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