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128628-13-7 | 3-Cyclobutene-1,2-dione, 3-chloro-
CAS No: 128628-13-7 Catalog No: AG000Y91 MDL No:
Product Description
Catalog Number:
AG000Y91
Chemical Name:
3-Cyclobutene-1,2-dione, 3-chloro-
CAS Number:
128628-13-7
Molecular Formula:
C4HClO2
Molecular Weight:
116.5025
IUPAC Name:
3-chlorocyclobut-3-ene-1,2-dione
InChI:
InChI=1S/C4HClO2/c5-2-1-3(6)4(2)7/h1H
InChI Key:
DNJNUCYAVRRVMW-UHFFFAOYSA-N
SMILES:
ClC1=CC(=O)C1=O
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
115.967g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
116.5g/mol
Monoisotopic Mass:
115.967g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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