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1955557-78-4 | 1-methyl-1H-1,2,3-benzotriazole-5-sulfonamide
CAS No: 1955557-78-4 Catalog No: AG01B22X MDL No:MFCD29991549
Product Description
Catalog Number:
AG01B22X
Chemical Name:
1-methyl-1H-1,2,3-benzotriazole-5-sulfonamide
CAS Number:
1955557-78-4
Molecular Formula:
C7H8N4O2S
Molecular Weight:
212.2290
MDL Number:
MFCD29991549
IUPAC Name:
1-methylbenzotriazole-5-sulfonamide
InChI:
InChI=1S/C7H8N4O2S/c1-11-7-3-2-5(14(8,12)13)4-6(7)9-10-11/h2-4H,1H3,(H2,8,12,13)
InChI Key:
PDETZGLFWGCAPF-UHFFFAOYSA-N
SMILES:
Cn1nnc2c1ccc(c2)S(=O)(=O)N
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.037g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.227g/mol
Monoisotopic Mass:
212.037g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
99.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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