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114154-57-3 | 2-Butanone, pentachloro- (6CI,9CI)
CAS No: 114154-57-3 Catalog No: AG000AP9 MDL No:
Product Description
Catalog Number:
AG000AP9
Chemical Name:
2-Butanone, pentachloro- (6CI,9CI)
CAS Number:
114154-57-3
Molecular Formula:
C4H3Cl5O
Molecular Weight:
244.3310
IUPAC Name:
1,1,1,3,3-pentachlorobutan-2-one
InChI:
InChI=1S/C4H3Cl5O/c1-3(5,6)2(10)4(7,8)9/h1H3
InChI Key:
PFBKNJHBFSZVAW-UHFFFAOYSA-N
SMILES:
O=C(C(Cl)(Cl)Cl)C(Cl)(Cl)C
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.86g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.317g/mol
Monoisotopic Mass:
241.863g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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