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82746-16-5 | Benzenesulfonamide, N-(3,4-dihydro-1H-2-benzopyran-1-yl)-4-methyl-
CAS No: 82746-16-5 Catalog No: AG00582S MDL No:
Product Description
Catalog Number:
AG00582S
Chemical Name:
Benzenesulfonamide, N-(3,4-dihydro-1H-2-benzopyran-1-yl)-4-methyl-
CAS Number:
82746-16-5
Molecular Formula:
C16H17NO3S
Molecular Weight:
303.3761
IUPAC Name:
N-(3,4-dihydro-1H-isochromen-1-yl)-4-methylbenzenesulfonamide
InChI:
InChI=1S/C16H17NO3S/c1-12-6-8-14(9-7-12)21(18,19)17-16-15-5-3-2-4-13(15)10-11-20-16/h2-9,16-17H,10-11H2,1H3
InChI Key:
JXRRCUUAKKRPGD-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)NC1OCCc2c1cccc2
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.093g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.376g/mol
Monoisotopic Mass:
303.093g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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