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72284-70-9 | 2-Cyclobuten-1-one, 3-butyl-4,4-dichloro-
CAS No: 72284-70-9 Catalog No: AG005IE9 MDL No:
Product Description
Catalog Number:
AG005IE9
Chemical Name:
2-Cyclobuten-1-one, 3-butyl-4,4-dichloro-
CAS Number:
72284-70-9
Molecular Formula:
C8H10Cl2O
Molecular Weight:
193.0704
IUPAC Name:
3-butyl-4,4-dichlorocyclobut-2-en-1-one
InChI:
InChI=1S/C8H10Cl2O/c1-2-3-4-6-5-7(11)8(6,9)10/h5H,2-4H2,1H3
InChI Key:
RYJBTXRVYHOYSE-UHFFFAOYSA-N
SMILES:
CCCCC1=CC(=O)C1(Cl)Cl
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.011g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.067g/mol
Monoisotopic Mass:
192.011g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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