AG003C0F

93957-50-7 | 2-​Propenal, 3-​[3-​(4-​fluorophenyl)​-​1-​(1-​methylethyl)​-​1H-​indol-​2-​yl]​-​, (2E)​-

AG003C0F

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CAS Number	93957-50-7
Catalog Number	AG003C0F(AGN-PC-0ONRQO)
Chemical Name	2-​Propenal, 3-​[3-​(4-​fluorophenyl)​-​1-​(1-​methylethyl)​-​1H-​indol-​2-​yl]​-​, (2E)​-
IUPAC Name	(E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-enal
InChI	InChI=1S/C20H18FNO/c1-14(2)22-18-7-4-3-6-17(18)20(19(22)8-5-13-23)15-9-11-16(21)12-10-15/h3-14H,1-2H3/b8-5+
InChI Key	DVWHSTKQJBIYCK-VMPITWQZSA-N
MDL Number	MFCD03840863
Molecular Formula	C20H18FNO
Molecular Weight	307.3614
SMILES	C(=CC=O)/c1c(c2c(n1C(C)C)cccc2)c1ccc(cc1)F
Synonyms	93957-50-7, (E)-3-(3-(4-Fluorophenyl)-1-isopropyl-1H-indol-2-yl)acrylaldehyde, 129332-30-5, 1-Isopropyl-2-acrolein-3-(4-fluorophenyl)-indole, (e)-3-[3'-(4''-fluorophenyl)-1'-(1''-methylethyl)-1h-indol-2''-yl]-2-propnal, 3-(3-4-fluorophenyl-1-isopropyl-1h-indole-2-yl) propenal, Fenal, (E)-3-[3-(4-Fluorophenyl)-1-isopropyl-1H-indol-2-yl]-propenal, (e)-3-[3-(4-fluoro-phenyl)-1-isopropyl-1h-indol-2-yl]-propenal, (e)-3-[3-(4-fluorophenyl)-1-(isopropyl)-1h-indol-2-yl]-2-propenal, 3-(3-4-fluorophenyl-1-isopropyl-1h-indole-2-yl)propenal, 2-Propenal, 3-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-, (2E)-, PubChem15645, SCHEMBL5847130, ZINC2513950, MFCD03840863, (E)-3-[3-(4-FLUOROPHENYL)-1-(1-METHYLETHYL)-2-INDOLYL]PROPENAL, AKOS015896063, AB16753, CS-W008265, RL05893, 3-[3-(4-FLUOROPHENYL)-1-(1-METHYLETHYL)-1H-INDOL-2-YL]-(E)-2-PROPENAL, AC-26812, AC-29005, AJ-36928, AN-32441, AS-12807, BC203026, AB0012448, TC-161762, F0819, ST24035035, 57F507, M-1245, 1-isopropyl-2-acrolein-3-(4-fluorophenyl)indole, A1-01698, I06-1716, I06-1752, Q-102780, I14-38284, (E)-3-[3-(4-Fluorophenyl)-1-isopropylindol-2-yl]acrolein, (E)-3-[3-(4-Fluorophenyl)-1-isopropylindol-2-yl]propenal, (E)-3-[3-(4-fluorophenyl)-1-isopropyl-indol-2-yl]prop-2-enal, 3-[3-(4-fluorophenyl)-1-(1-methylethyl)-1h-indol-2yl]-propenal, (2E)-3-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]prop-2-enal, (e)-3-(3-(4-fluorophenyl)-1-isopropyl-1h-indol-2-yl) acrylaldehyde, (e)-3-[3'-(4''-fluorophenyl)-1'-(1''-methylethyl)-1h-indol-2''-yl]-2-propenal, (e)-3-[3'-(4''-fluorophenyl)-1'-(1''-methylethyl)]-1h-indol-2''-yl-2-propenal, (e)-3-[3'-(4''-fluorophenyl)-1'-(1''-methylethyl)indol-2'-yl]pro-2-penal, (e)-3-[3'-(4''-fluorophenyl)-1'-(1-methylethyl)-1h-indole-2yl] prop-2-enal, C20H18FNO, CID9926593, EC 425-370-4, -3-[3'- -1'- -1H-indol-2"-yl]-2-propnal, (E)-3-[3-(4-fluorophenyl)-1-propan-2-yl-indol-2-yl]prop-2-enal, (2E)-3-[3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-2-propenal, (e)-3-[3-(4-fluorophenyl)-1-(1-methylethyl)-1h-indole-2-yl] propenal, (E)-3-[3-(4-Fluorophenyl)-1-isopropyl-1H-indol-2-yl]-propenal, 97% 5g, 3-(3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl)-(E)-2-propenal, (E)-3-[3'-(4"-Fluorophenyl)-1'-(1"-methylethyl)-1H-indol-2"-yl]-2-propnal,

Complexity	427
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	307.137g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	307.368g/mol
Monoisotopic Mass	307.137g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	22A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H315-H335
Packing Group	Ⅲ
Precautionary statements	P261
UN Code	UN 3077

Certificate of Analysis

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