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17953-83-2 | Butanoyl chloride, 4,4,4-trichloro-2,2-dimethyl-3-oxo-
CAS No: 17953-83-2 Catalog No: AG00272K MDL No:
Product Description
Catalog Number:
AG00272K
Chemical Name:
Butanoyl chloride, 4,4,4-trichloro-2,2-dimethyl-3-oxo-
CAS Number:
17953-83-2
Molecular Formula:
C6H6Cl4O2
Molecular Weight:
251.9226
IUPAC Name:
4,4,4-trichloro-2,2-dimethyl-3-oxobutanoyl chloride
InChI:
InChI=1S/C6H6Cl4O2/c1-5(2,4(7)12)3(11)6(8,9)10/h1-2H3
InChI Key:
VWKVNVZXNWCKRU-UHFFFAOYSA-N
SMILES:
ClC(=O)C(C(=O)C(Cl)(Cl)Cl)(C)C
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.909g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.912g/mol
Monoisotopic Mass:
249.912g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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