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1099660-81-7 | 3-(1-methyl-1H-1,2,3,4-tetrazol-5-yl)benzene-1-sulfonamide
CAS No: 1099660-81-7 Catalog No: AG019WB4 MDL No:MFCD11650717
Product Description
Catalog Number:
AG019WB4
Chemical Name:
3-(1-methyl-1H-1,2,3,4-tetrazol-5-yl)benzene-1-sulfonamide
CAS Number:
1099660-81-7
Molecular Formula:
C8H9N5O2S
Molecular Weight:
239.2544
MDL Number:
MFCD11650717
IUPAC Name:
3-(1-methyltetrazol-5-yl)benzenesulfonamide
InChI:
InChI=1S/C8H9N5O2S/c1-13-8(10-11-12-13)6-3-2-4-7(5-6)16(9,14)15/h2-5H,1H3,(H2,9,14,15)
InChI Key:
IHPSHRFRORRPQJ-UHFFFAOYSA-N
SMILES:
Cn1nnnc1c1cccc(c1)S(=O)(=O)N
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.048g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.253g/mol
Monoisotopic Mass:
239.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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