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17617-10-6 | 1H-Azepine-1-sulfonamide
CAS No: 17617-10-6 Catalog No: AG0024GH MDL No:
Product Description
Catalog Number:
AG0024GH
Chemical Name:
1H-Azepine-1-sulfonamide
CAS Number:
17617-10-6
Molecular Formula:
C6H8N2O2S
Molecular Weight:
172.2049
IUPAC Name:
azepine-1-sulfonamide
InChI:
InChI=1S/C6H8N2O2S/c7-11(9,10)8-5-3-1-2-4-6-8/h1-6H,(H2,7,9,10)
InChI Key:
VEQAGSPCZANNDR-UHFFFAOYSA-N
SMILES:
NS(=O)(=O)N1C=CC=CC=C1
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.031g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.202g/mol
Monoisotopic Mass:
172.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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