AG002SBQ

262268-58-6 | 2-Propenal, 3-[3-(trifluoromethyl)phenyl]-, (2E)-

AG002SBQ

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CAS Number	262268-58-6
Catalog Number	AG002SBQ(AGN-PC-0O8E1M)
Chemical Name	2-Propenal, 3-[3-(trifluoromethyl)phenyl]-, (2E)-
EC Number	617-975-9
IUPAC Name	(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enal
InChI	InChI=1S/C10H7F3O/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1-7H/b4-2+
InChI Key	JMKMLIWUWJNVIG-DUXPYHPUSA-N
MDL Number	MFCD09260891
Molecular Formula	C10H7F3O
Molecular Weight	200.1572
SMILES	C(F)(F)(F)c1cc(/C=C/C=O)ccc1
Synonyms	(E)-3-(3-(Trifluoromethyl)phenyl)acrylaldehyde, 262268-58-6, 3-(TRIFLUOROMETHYL)CINNAMALDEHYDE, 871543-59-8, 3-(3-(trifluoromethyl)phenyl)acrylaldehyde, 3-[3-(trifluoromethyl)phenyl]-2-propenal, 2-Propenal, 3-[3-(trifluoromethyl)phenyl]-, (2E)-, (E)-3-[3-(Trifluoromethyl)phenyl]acrylaldehyde, PubChem19168, SCHEMBL366416, AMBZ0231, 3-trifluoromethyl) Cinnamaldehyde, JMKMLIWUWJNVIG-DUXPYHPUSA-N, 3-(Trifluoromethyl)benzenepropenal, 2289AB, MFCD09260891, ZINC21304303, AKOS015891434, AM85685, RP17485, RTR-036302, 3- pound trifluoromethyl) Cinnamaldehyde, AJ-78522, DS-17727, SC-82342, TR-036302, 3-（trifluoromethyl) Cinnamaldehyde, ST24035036, TL80073685, EN300-215301, (2E)-3-[3-(trifluoromethyl)phenyl]prop-2-enal, 543T598, I01-9544, J-501882, C10H7F3O, 4-Chloro-3-cyanobenzeneboronic acid, CID10488238, (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enal,

Complexity	220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	200.045g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	200.16g/mol
Monoisotopic Mass	200.045g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P261-P280-P305+P351+P338-P304+P340-P405
UN Code

Certificate of Analysis

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