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49715-04-0 | Chloromethyl Chlorosulfate
CAS No: 49715-04-0 Catalog No: AG003OU2 MDL No:MFCD00041547
Product Description
Catalog Number:
AG003OU2
Chemical Name:
Chloromethyl Chlorosulfate
CAS Number:
49715-04-0
Molecular Formula:
CH2Cl2O3S
Molecular Weight:
164.9958
MDL Number:
MFCD00041547
IUPAC Name:
chloro(chlorosulfonyloxy)methane
InChI:
InChI=1S/CH2Cl2O3S/c2-1-6-7(3,4)5/h1H2
InChI Key:
PJBIHXWYDMFGCV-UHFFFAOYSA-N
SMILES:
ClCOS(=O)(=O)Cl
EC Number:
256-442-1
UNII:
N615783BNF
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.91g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.984g/mol
Monoisotopic Mass:
163.91g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Chloromethyl chlorosulfate: a new, catalytic method of preparation and reactions with some nucleophiles. | Organic & biomolecular chemistry 20040521 |
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