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76462-11-8 | 10H-Phenothiazine, 9-chloro-1,3-dinitro-
CAS No: 76462-11-8 Catalog No: AG005BSD MDL No:
Product Description
Catalog Number:
AG005BSD
Chemical Name:
10H-Phenothiazine, 9-chloro-1,3-dinitro-
CAS Number:
76462-11-8
Molecular Formula:
C12H6ClN3O4S
Molecular Weight:
323.7117
IUPAC Name:
9-chloro-1,3-dinitro-10H-phenothiazine
InChI:
InChI=1S/C12H6ClN3O4S/c13-7-2-1-3-9-11(7)14-12-8(16(19)20)4-6(15(17)18)5-10(12)21-9/h1-5,14H
InChI Key:
XQUYQWSYHGJMLQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc2c1Nc1c(S2)cccc1Cl)[N+](=O)[O-]
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.977g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.707g/mol
Monoisotopic Mass:
322.977g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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