CAS
939-55-9 Purity
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939-55-9 Purity
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![Methyl(3R,5S,6E)-7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-6-heptenoate](https://resource.alfa-chemistry.com/structure/93957-53-0.gif)
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3-[3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-(E)-2-propenal
CAS
93957-50-7
Catalog Number
ACM93957507
Category
Other Products
Molecular Weight
307.36
Molecular Formula
C20H18FNO
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Specification
Synonyms
(2E)-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-propnal;E-3-(3'-(4-Fluorophenyl)-1-(1'-Methylethyl)-1H-Indole-2-yl)-Prop-3-enaldehyde;(E)-3-[3-(4-Fluorophenyl)-1-(1-
IUPAC Name
(E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-enal
InChI Key
DVWHSTKQJBIYCK-VMPITWQZSA-N
Boiling Point
497.643ºC at 760 mmHg
Melting Point
127-129ºC
Flash Point
254.766ºC
Density
1.1
Exact Mass
307.13700
Hazard Statements
Xi:Irritant;N:Dangerousfortheenvironment;
H-Bond Acceptor
2
H-Bond Donor
0
Safety Description
S2-S22-S24-S37-S60-S61
What is the PubChem CID of the compound?
The PubChem CID of the compound is 9926593.
What is the molecular formula of the compound?
The molecular formula of the compound is C20H18FNO.
What are some synonyms of the compound?
Some synonyms of the compound include 93957-50-7 and (E)-3-(3-(4-Fluorophenyl)-1-isopropyl-1H-indol-2-yl)acrylaldehyde.
What is the molecular weight of the compound?
The molecular weight of the compound is 307.4 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is (E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-enal.
What is the InChIKey of the compound?
The InChIKey of the compound is DVWHSTKQJBIYCK-VMPITWQZSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CC(C)N1C2=CC=CC=C2C(=C1C=CC=O)C3=CC=C(C=C3)F.
What is the CAS number of the compound?
The CAS number of the compound is 93957-50-7.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 4.4.
How many hydrogen bond acceptor counts does the compound have?
The compound has 2 hydrogen bond acceptor counts.
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CAS
93957-50-0 Purity
96%
93957-50-0 Purity
96%
