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827325-61-1 | 4H-1,3-Benzodioxin-2,4-dione, 7-chloro-
CAS No: 827325-61-1 Catalog No: AG00586O MDL No:
Product Description
Catalog Number:
AG00586O
Chemical Name:
4H-1,3-Benzodioxin-2,4-dione, 7-chloro-
CAS Number:
827325-61-1
Molecular Formula:
C8H3ClO4
Molecular Weight:
198.5600
IUPAC Name:
7-chloro-1,3-benzodioxine-2,4-dione
InChI:
InChI=1S/C8H3ClO4/c9-4-1-2-5-6(3-4)12-8(11)13-7(5)10/h1-3H
InChI Key:
FFMWWTOMHCOWJG-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)oc(=O)oc2=O
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.972g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.558g/mol
Monoisotopic Mass:
197.972g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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