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16406-00-1 | 2,1,3-Benzothiadiazole-4-methanol
CAS No: 16406-00-1 Catalog No: AG001ULQ MDL No:MFCD02682036
Product Description
Catalog Number:
AG001ULQ
Chemical Name:
2,1,3-Benzothiadiazole-4-methanol
CAS Number:
16406-00-1
Molecular Formula:
C7H6N2OS
Molecular Weight:
166.2003
MDL Number:
MFCD02682036
IUPAC Name:
2,1,3-benzothiadiazol-4-ylmethanol
InChI:
InChI=1S/C7H6N2OS/c10-4-5-2-1-3-6-7(5)9-11-8-6/h1-3,10H,4H2
InChI Key:
LASMSURVAZPERF-UHFFFAOYSA-N
SMILES:
OCc1cccc2c1nsn2
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.198g/mol
Monoisotopic Mass:
166.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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