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114079-02-6 | Thiophene, 3-bromo-4-chloro-2,3-dihydro-, 1,1-dioxide
CAS No: 114079-02-6 Catalog No: AG000AID MDL No:
Product Description
Catalog Number:
AG000AID
Chemical Name:
Thiophene, 3-bromo-4-chloro-2,3-dihydro-, 1,1-dioxide
CAS Number:
114079-02-6
Molecular Formula:
C4H4BrClO2S
Molecular Weight:
231.4954
IUPAC Name:
3-bromo-4-chloro-2,3-dihydrothiophene 1,1-dioxide
InChI:
InChI=1S/C4H4BrClO2S/c5-3-1-9(7,8)2-4(3)6/h2-3H,1H2
InChI Key:
ZZGHEDGOLOYVHL-UHFFFAOYSA-N
SMILES:
BrC1CS(=O)(=O)C=C1Cl
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.88g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.488g/mol
Monoisotopic Mass:
229.88g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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