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7151-18-0 | 1-ethyl-4-(phenylsulfonyl)-1,2,3,4-tetrahydroquinoxaline
CAS No: 7151-18-0 Catalog No: AG005H4Q MDL No:
Product Description
Catalog Number:
AG005H4Q
Chemical Name:
1-ethyl-4-(phenylsulfonyl)-1,2,3,4-tetrahydroquinoxaline
CAS Number:
7151-18-0
Molecular Formula:
C16H18N2O2S
Molecular Weight:
302.3913
IUPAC Name:
1-(benzenesulfonyl)-4-ethyl-2,3-dihydroquinoxaline
InChI:
InChI=1S/C16H18N2O2S/c1-2-17-12-13-18(16-11-7-6-10-15(16)17)21(19,20)14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3
InChI Key:
IZDPOSNBOPXMDU-UHFFFAOYSA-N
SMILES:
CCN1CCN(c2c1cccc2)S(=O)(=O)c1ccccc1
NSC Number:
70123
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.109g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.392g/mol
Monoisotopic Mass:
302.109g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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