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20926-82-3 | 1H-Indene-1,3(2H)-dione, 2-[3-(4-bromophenyl)-1-oxo-2-propen-1-yl]-
CAS No: 20926-82-3 Catalog No: AG002K5P MDL No:
Product Description
Catalog Number:
AG002K5P
Chemical Name:
1H-Indene-1,3(2H)-dione, 2-[3-(4-bromophenyl)-1-oxo-2-propen-1-yl]-
CAS Number:
20926-82-3
Molecular Formula:
C18H11BrO3
Molecular Weight:
355.1821
IUPAC Name:
2-[3-(4-bromophenyl)prop-2-enoyl]indene-1,3-dione
InChI:
InChI=1S/C18H11BrO3/c19-12-8-5-11(6-9-12)7-10-15(20)16-17(21)13-3-1-2-4-14(13)18(16)22/h1-10,16H
InChI Key:
JAVQJOTUCCJDGD-UHFFFAOYSA-N
SMILES:
O=C(C1C(=O)c2c(C1=O)cccc2)C=Cc1ccc(cc1)Br
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.989g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.187g/mol
Monoisotopic Mass:
353.989g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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