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1531563-58-2 | {bicyclo[4.2.0]octa-1,3,5-trien-7-yl}methanesulfonamide
CAS No: 1531563-58-2 Catalog No: AG01B3AI MDL No:MFCD21764903
Product Description
Catalog Number:
AG01B3AI
Chemical Name:
{bicyclo[4.2.0]octa-1,3,5-trien-7-yl}methanesulfonamide
CAS Number:
1531563-58-2
Molecular Formula:
C9H11NO2S
Molecular Weight:
197.2541
MDL Number:
MFCD21764903
IUPAC Name:
7-bicyclo[4.2.0]octa-1,3,5-trienylmethanesulfonamide
InChI:
InChI=1S/C9H11NO2S/c10-13(11,12)6-8-5-7-3-1-2-4-9(7)8/h1-4,8H,5-6H2,(H2,10,11,12)
InChI Key:
VDZOZIXCDBUETD-UHFFFAOYSA-N
SMILES:
NS(=O)(=O)CC1Cc2c1cccc2
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.252g/mol
Monoisotopic Mass:
197.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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