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80862-05-1 | Pyrrolo[2,3-c]phenothiazine, 3,6-dihydro-, 11,11-dioxide
CAS No: 80862-05-1 Catalog No: AG005IB7 MDL No:
Product Description
Catalog Number:
AG005IB7
Chemical Name:
Pyrrolo[2,3-c]phenothiazine, 3,6-dihydro-, 11,11-dioxide
CAS Number:
80862-05-1
Molecular Formula:
C14H10N2O2S
Molecular Weight:
270.3064
IUPAC Name:
3,6-dihydropyrrolo[2,3-c]phenothiazine 11,11-dioxide
InChI:
InChI=1S/C14H10N2O2S/c17-19(18)13-4-2-1-3-11(13)16-12-6-5-10-9(14(12)19)7-8-15-10/h1-8,15-16H
InChI Key:
MLDHVVWXNHMQPS-UHFFFAOYSA-N
SMILES:
O=S1(=O)c2ccccc2Nc2c1c1cc[nH]c1cc2
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.046g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.306g/mol
Monoisotopic Mass:
270.046g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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