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24962-80-9 | 2-thioxo-2,3-dihydrobenzo[d]oxazole-5-sulfonyl chloride
CAS No: 24962-80-9 Catalog No: AG01DHN1 MDL No:MFCD19200565
Product Description
Catalog Number:
AG01DHN1
Chemical Name:
2-thioxo-2,3-dihydrobenzo[d]oxazole-5-sulfonyl chloride
CAS Number:
24962-80-9
Molecular Formula:
C7H4ClNO3S2
Molecular Weight:
249.6946
MDL Number:
MFCD19200565
IUPAC Name:
2-sulfanylidene-3H-1,3-benzoxazole-5-sulfonyl chloride
InChI:
InChI=1S/C7H4ClNO3S2/c8-14(10,11)4-1-2-6-5(3-4)9-7(13)12-6/h1-3H,(H,9,13)
InChI Key:
QHPPTZPVBVUTMQ-UHFFFAOYSA-N
SMILES:
S=c1oc2c([nH]1)cc(cc2)S(=O)(=O)Cl
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.932g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.683g/mol
Monoisotopic Mass:
248.932g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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