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127322-76-3 | Spiro[2H-indene-2,2'-oxirane]-1,3-dione, 3'-(4-chlorophenyl)-
CAS No: 127322-76-3 Catalog No: AG000WX4 MDL No:
Product Description
Catalog Number:
AG000WX4
Chemical Name:
Spiro[2H-indene-2,2'-oxirane]-1,3-dione, 3'-(4-chlorophenyl)-
CAS Number:
127322-76-3
Molecular Formula:
C16H9ClO3
Molecular Weight:
284.6939
IUPAC Name:
3'-(4-chlorophenyl)spiro[indene-2,2'-oxirane]-1,3-dione
InChI:
InChI=1S/C16H9ClO3/c17-10-7-5-9(6-8-10)15-16(20-15)13(18)11-3-1-2-4-12(11)14(16)19/h1-8,15H
InChI Key:
TXOAAFVHJAZXAJ-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(=O)C21OC2c1ccc(cc1)Cl
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.024g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.695g/mol
Monoisotopic Mass:
284.024g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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