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132994-77-5 | 1H-Azepine, 1-[(4-methoxyphenyl)sulfonyl]-
CAS No: 132994-77-5 Catalog No: AG0011GI MDL No:
Product Description
Catalog Number:
AG0011GI
Chemical Name:
1H-Azepine, 1-[(4-methoxyphenyl)sulfonyl]-
CAS Number:
132994-77-5
Molecular Formula:
C13H13NO3S
Molecular Weight:
263.3122
IUPAC Name:
1-(4-methoxyphenyl)sulfonylazepine
InChI:
InChI=1S/C13H13NO3S/c1-17-12-6-8-13(9-7-12)18(15,16)14-10-4-2-3-5-11-14/h2-11H,1H3
InChI Key:
RGTFFCYOCGSKNA-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)S(=O)(=O)N1C=CC=CC=C1
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.062g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.311g/mol
Monoisotopic Mass:
263.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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