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20926-88-9 | 1H-Indene-1,3(2H)-dione, 4-chloro-
CAS No: 20926-88-9 Catalog No: AG002K5O MDL No:
Product Description
Catalog Number:
AG002K5O
Chemical Name:
1H-Indene-1,3(2H)-dione, 4-chloro-
CAS Number:
20926-88-9
Molecular Formula:
C9H5ClO2
Molecular Weight:
180.5878
IUPAC Name:
4-chloroindene-1,3-dione
InChI:
InChI=1S/C9H5ClO2/c10-6-3-1-2-5-7(11)4-8(12)9(5)6/h1-3H,4H2
InChI Key:
BKCBGWAJWAOXMW-UHFFFAOYSA-N
SMILES:
O=C1CC(=O)c2c1c(Cl)ccc2
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.998g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.587g/mol
Monoisotopic Mass:
179.998g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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