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192625-85-7 | 1-Butanol, 4,4,4-trichloro-, 1-methanesulfonate
CAS No: 192625-85-7 Catalog No: AG002G4L MDL No:
Product Description
Catalog Number:
AG002G4L
Chemical Name:
1-Butanol, 4,4,4-trichloro-, 1-methanesulfonate
CAS Number:
192625-85-7
Molecular Formula:
C5H9Cl3O3S
Molecular Weight:
255.5472
IUPAC Name:
methanesulfonic acid;4,4,4-trichlorobutan-1-ol
InChI:
InChI=1S/C4H7Cl3O.CH4O3S/c5-4(6,7)2-1-3-8;1-5(2,3)4/h8H,1-3H2;1H3,(H,2,3,4)
InChI Key:
SOZTUUVIXOLOLE-UHFFFAOYSA-N
SMILES:
ClC(CCCOS(=O)(=O)C)(Cl)Cl
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.944g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
273.549g/mol
Monoisotopic Mass:
271.944g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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