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28539-12-0 | N-(1H-1,2,3-Benzotriazol-1-ylmethyl)benzenesulfonamide
CAS No: 28539-12-0 Catalog No: AG01F834 MDL No:
Product Description
Catalog Number:
AG01F834
Chemical Name:
N-(1H-1,2,3-Benzotriazol-1-ylmethyl)benzenesulfonamide
CAS Number:
28539-12-0
Molecular Formula:
C13H12N4O2S
Molecular Weight:
288.3250
IUPAC Name:
N-(benzotriazol-1-ylmethyl)benzenesulfonamide
InChI:
InChI=1S/C13H12N4O2S/c18-20(19,11-6-2-1-3-7-11)14-10-17-13-9-5-4-8-12(13)15-16-17/h1-9,14H,10H2
InChI Key:
NHRBHQGVKDGRPF-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccccc1)NCn1nnc2c1cccc2
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.068g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.325g/mol
Monoisotopic Mass:
288.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
85.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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