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88438-27-1 | Cyclopropanemethanol, 2,2-dichloro-3,3-dimethyl-, benzenesulfonate
CAS No: 88438-27-1 Catalog No: AG004JZ2 MDL No:
Product Description
Catalog Number:
AG004JZ2
Chemical Name:
Cyclopropanemethanol, 2,2-dichloro-3,3-dimethyl-, benzenesulfonate
CAS Number:
88438-27-1
Molecular Formula:
C12H16Cl2O4S
Molecular Weight:
327.2240
IUPAC Name:
benzenesulfonic acid;(2,2-dichloro-3,3-dimethylcyclopropyl)methanol
InChI:
InChI=1S/C6H10Cl2O.C6H6O3S/c1-5(2)4(3-9)6(5,7)8;7-10(8,9)6-4-2-1-3-5-6/h4,9H,3H2,1-2H3;1-5H,(H,7,8,9)
InChI Key:
UVOJXJWFZIGLQK-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)c1ccccc1.OCC1C(C1(C)C)(Cl)Cl
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.015g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
327.216g/mol
Monoisotopic Mass:
326.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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