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15875-54-4 | 1H-Indene-1,3(2H)-dione, 2-[(4-chlorophenyl)methylene]-
CAS No: 15875-54-4 Catalog No: AG001QUG MDL No:MFCD00021234
Product Description
Catalog Number:
AG001QUG
Chemical Name:
1H-Indene-1,3(2H)-dione, 2-[(4-chlorophenyl)methylene]-
CAS Number:
15875-54-4
Molecular Formula:
C16H9ClO2
Molecular Weight:
268.6945
MDL Number:
MFCD00021234
IUPAC Name:
2-[(4-chlorophenyl)methylidene]indene-1,3-dione
InChI:
InChI=1S/C16H9ClO2/c17-11-7-5-10(6-8-11)9-14-15(18)12-3-1-2-4-13(12)16(14)19/h1-9H
InChI Key:
DPSNBOGJIUODEX-UHFFFAOYSA-N
SMILES:
O=C1C(=Cc2ccc(cc2)Cl)C(=O)c2c1cccc2
NSC Number:
636621
Properties
Complexity:
393
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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