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77832-00-9 | 4H-1,3-Thiazin-4-one, 6-methyl-2-phenyl-, perchlorate
CAS No: 77832-00-9 Catalog No: AG005F1Z MDL No:
Product Description
Catalog Number:
AG005F1Z
Chemical Name:
4H-1,3-Thiazin-4-one, 6-methyl-2-phenyl-, perchlorate
CAS Number:
77832-00-9
Molecular Formula:
C11H10ClNO5S
Molecular Weight:
303.7188
IUPAC Name:
6-methyl-2-phenyl-1,3-thiazin-4-one;perchloric acid
InChI:
InChI=1S/C11H9NOS.ClHO4/c1-8-7-10(13)12-11(14-8)9-5-3-2-4-6-9;2-1(3,4)5/h2-7H,1H3;(H,2,3,4,5)
InChI Key:
FDQXSIHUQLSJHA-UHFFFAOYSA-N
SMILES:
O[Cl](=O)(=O)=O.O=c1cc(C)sc(n1)c1ccccc1
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.997g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.713g/mol
Monoisotopic Mass:
302.997g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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