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86883-56-9 | 2-Butanone, 3-chloro-4-(4-chlorobutoxy)-
CAS No: 86883-56-9 Catalog No: AG004PDW MDL No:
Product Description
Catalog Number:
AG004PDW
Chemical Name:
2-Butanone, 3-chloro-4-(4-chlorobutoxy)-
CAS Number:
86883-56-9
Molecular Formula:
C8H14Cl2O2
Molecular Weight:
213.1016
IUPAC Name:
3-chloro-4-(4-chlorobutoxy)butan-2-one
InChI:
InChI=1S/C8H14Cl2O2/c1-7(11)8(10)6-12-5-3-2-4-9/h8H,2-6H2,1H3
InChI Key:
FQJOWWCCKVCPPM-UHFFFAOYSA-N
SMILES:
ClCCCCOCC(C(=O)C)Cl
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.037g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.098g/mol
Monoisotopic Mass:
212.037g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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