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76149-00-3 | 2H-1,4-Benzothiazine, 3-(4-methoxyphenyl)-, perchlorate
CAS No: 76149-00-3 Catalog No: AG008OG9 MDL No:
Product Description
Catalog Number:
AG008OG9
Chemical Name:
2H-1,4-Benzothiazine, 3-(4-methoxyphenyl)-, perchlorate
CAS Number:
76149-00-3
Molecular Formula:
C15H14ClNO5S
Molecular Weight:
355.7934
IUPAC Name:
3-(4-methoxyphenyl)-2H-1,4-benzothiazine;perchloric acid
InChI:
InChI=1S/C15H13NOS.ClHO4/c1-17-12-8-6-11(7-9-12)14-10-18-15-5-3-2-4-13(15)16-14;2-1(3,4)5/h2-9H,10H2,1H3;(H,2,3,4,5)
InChI Key:
PYRXRBMTUHQYLV-UHFFFAOYSA-N
SMILES:
O[Cl](=O)(=O)=O.COc1ccc(cc1)C1=Nc2c(SC1)cccc2
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.028g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
355.789g/mol
Monoisotopic Mass:
355.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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