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113931-72-9 | 1,2,3-Benzothiadiazol-7-ol, 7-ethenyl-4,5,6,7-tetrahydro-5,5-dimethyl-
CAS No: 113931-72-9 Catalog No: AG000A2W MDL No:
Product Description
Catalog Number:
AG000A2W
Chemical Name:
1,2,3-Benzothiadiazol-7-ol, 7-ethenyl-4,5,6,7-tetrahydro-5,5-dimethyl-
CAS Number:
113931-72-9
Molecular Formula:
C10H14N2OS
Molecular Weight:
210.2960
IUPAC Name:
7-ethenyl-5,5-dimethyl-4,6-dihydro-1,2,3-benzothiadiazol-7-ol
InChI:
InChI=1S/C10H14N2OS/c1-4-10(13)6-9(2,3)5-7-8(10)14-12-11-7/h4,13H,1,5-6H2,2-3H3
InChI Key:
OCIBXIMVLHPSCT-UHFFFAOYSA-N
SMILES:
C=CC1(O)CC(C)(C)Cc2c1snn2
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.083g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.295g/mol
Monoisotopic Mass:
210.083g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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