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14008-53-8 | Thiophene, 3-bromotetrahydro-, 1,1-dioxide
CAS No: 14008-53-8 Catalog No: AG001C0Z MDL No:MFCD00456581
Product Description
Catalog Number:
AG001C0Z
Chemical Name:
Thiophene, 3-bromotetrahydro-, 1,1-dioxide
CAS Number:
14008-53-8
Molecular Formula:
C4H7BrO2S
Molecular Weight:
199.0662
MDL Number:
MFCD00456581
IUPAC Name:
3-bromothiolane 1,1-dioxide
InChI:
InChI=1S/C4H7BrO2S/c5-4-1-2-8(6,7)3-4/h4H,1-3H2
InChI Key:
IPOKQKBJDASROB-UHFFFAOYSA-N
SMILES:
BrC1CCS(=O)(=O)C1
NSC Number:
25579
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.935g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.062g/mol
Monoisotopic Mass:
197.935g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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