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16278-69-6 | 1-Butanol, 2,4,4,4-tetrachloro-2-methyl-, 1-acetate
CAS No: 16278-69-6 Catalog No: AG001TF1 MDL No:
Product Description
Catalog Number:
AG001TF1
Chemical Name:
1-Butanol, 2,4,4,4-tetrachloro-2-methyl-, 1-acetate
CAS Number:
16278-69-6
Molecular Formula:
C7H10Cl4O2
Molecular Weight:
267.9651
IUPAC Name:
acetic acid;2,4,4,4-tetrachloro-2-methylbutan-1-ol
InChI:
InChI=1S/C5H8Cl4O.C2H4O2/c1-4(6,3-10)2-5(7,8)9;1-2(3)4/h10H,2-3H2,1H3;1H3,(H,3,4)
InChI Key:
RVNJGRHQSRNGJM-UHFFFAOYSA-N
SMILES:
CC(=O)OCC(CC(Cl)(Cl)Cl)(Cl)C
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.951g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
285.97g/mol
Monoisotopic Mass:
283.954g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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