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Home > Nitro Compounds > 1747-90-6
1747-90-6 | 10H-Phenothiazine, 3,7-dinitro-
CAS No: 1747-90-6 Catalog No: AG001ZWA MDL No:
Product Description
Catalog Number:
AG001ZWA
Chemical Name:
10H-Phenothiazine, 3,7-dinitro-
CAS Number:
1747-90-6
Molecular Formula:
C12H7N3O4S
Molecular Weight:
289.2667
IUPAC Name:
3,7-dinitro-10H-phenothiazine
InChI:
InChI=1S/C12H7N3O4S/c16-14(17)7-1-3-9-11(5-7)20-12-6-8(15(18)19)2-4-10(12)13-9/h1-6,13H
InChI Key:
KCSURCKZGJUTCH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)Sc1c(N2)ccc(c1)[N+](=O)[O-]
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.016g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.265g/mol
Monoisotopic Mass:
289.016g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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