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207554-23-2 | 1H-Indene-1,2(3H)-dione, 5-chloro-
CAS No: 207554-23-2 Catalog No: AG002J3N MDL No:
Product Description
Catalog Number:
AG002J3N
Chemical Name:
1H-Indene-1,2(3H)-dione, 5-chloro-
CAS Number:
207554-23-2
Molecular Formula:
C9H5ClO2
Molecular Weight:
180.5878
IUPAC Name:
5-chloro-3H-indene-1,2-dione
InChI:
InChI=1S/C9H5ClO2/c10-6-1-2-7-5(3-6)4-8(11)9(7)12/h1-3H,4H2
InChI Key:
SWHCHEDYHQTQNZ-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)CC(=O)C2=O
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:
1.6
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