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15875-55-5 | 1H-Indene-1,3(2H)-dione, 2-[(3-chlorophenyl)methylene]-
CAS No: 15875-55-5 Catalog No: AG001QUF MDL No:
Product Description
Catalog Number:
AG001QUF
Chemical Name:
1H-Indene-1,3(2H)-dione, 2-[(3-chlorophenyl)methylene]-
CAS Number:
15875-55-5
Molecular Formula:
C16H9ClO2
Molecular Weight:
268.6945
IUPAC Name:
2-[(3-chlorophenyl)methylidene]indene-1,3-dione
InChI:
InChI=1S/C16H9ClO2/c17-11-5-3-4-10(8-11)9-14-15(18)12-6-1-2-7-13(12)16(14)19/h1-9H
InChI Key:
JDGBJCJISQQPTI-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)C=C1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.029g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.696g/mol
Monoisotopic Mass:
268.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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