AG00C741

41917-83-3 | 3-(4-Trifluoromethylphenyl)propenal

AG00C741

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CAS Number	41917-83-3
Catalog Number	AG00C741(AGN-PC-0WAMMM)
Chemical Name	3-(4-Trifluoromethylphenyl)propenal
IUPAC Name	(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enal
InChI	InChI=1S/C10H7F3O/c11-10(12,13)9-5-3-8(4-6-9)2-1-7-14/h1-7H/b2-1+
InChI Key	HYCDCKWWJCPUNT-OWOJBTEDSA-N
MDL Number	MFCD09835193
Molecular Formula	C10H7F3O
Molecular Weight	200.1572
SMILES	C(F)(F)(F)c1ccc(cc1)C=CC=O
Synonyms	41917-83-3, 4-(Trifluoromethyl)cinnamaldehyde, 3-(4-(Trifluoromethyl)phenyl)acrylaldehyde, 3-(4-Trifluoromethylphenyl)propenal, 4-Trifluoromethylcinnamaldehyde, 3-(4-Trifluoromethylphenyl)-2-propenal, MFCD09835193, 41317-83-3, 4-(TRIFLUOROMETHYL)CINNAMIC ALDEHYDE, PubChem4360, PubChem12249, SCHEMBL1224353, SCHEMBL1922783, HYCDCKWWJCPUNT-OWOJBTEDSA-N, OTAVA-BB 1786242, BCP21639, ZINC21299280, AKOS005063993, P-TRIFLUOROMETHYL CINNAMALDEHYDE, 3-[4-(Trifluoromethyl)phenyl]propenal, AC-9778, AS01926, CM13585, FCH1393944, FCH5171109, LS10291, trans-4-(trifluoromethyl)cinnamaldehyde, Trans-4-(trifluoromethyl) cinnamaldehyde, AJ-78260, AK112508, AS-20010, BBV-41812070, 3-[4-(Trifluoromethyl)phenyl]-2-propenal, AX8080314, ST2410357, TL8003006, 2-Propenal,3-[4-(trifluoroMethyl)phenyl]-, 4CH-016780, Z3553, S-8091, (E)-3-(4-(Trifluoromethyl)phenyl)acrylaldehyde, I01-4834, 3- propenal, C10H7F3O, CID11171628, (E)-3-[4-(trifluoromethyl)phenyl]prop-2-enal,

Complexity	212
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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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