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1225-11-2 | 7H-Benzo[c]phenothiazine, 12,12-dioxide
CAS No: 1225-11-2 Catalog No: AG0017CD MDL No:
Product Description
Catalog Number:
AG0017CD
Chemical Name:
7H-Benzo[c]phenothiazine, 12,12-dioxide
CAS Number:
1225-11-2
Molecular Formula:
C16H11NO2S
Molecular Weight:
281.3290
IUPAC Name:
7H-benzo[c]phenothiazine 12,12-dioxide
InChI:
InChI=1S/C16H11NO2S/c18-20(19)15-8-4-3-7-13(15)17-14-10-9-11-5-1-2-6-12(11)16(14)20/h1-10,17H
InChI Key:
YWXWUJJJMZJRNZ-UHFFFAOYSA-N
SMILES:
O=S1(=O)c2ccccc2Nc2c1c1ccccc1cc2
NSC Number:
40254
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.051g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.329g/mol
Monoisotopic Mass:
281.051g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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