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Home > Nitro Compounds > 74834-92-7
74834-92-7 | 10H-Phenothiazine, 3-methoxy-1,7-dinitro-
CAS No: 74834-92-7 Catalog No: AG005GVY MDL No:
Product Description
Catalog Number:
AG005GVY
Chemical Name:
10H-Phenothiazine, 3-methoxy-1,7-dinitro-
CAS Number:
74834-92-7
Molecular Formula:
C13H9N3O5S
Molecular Weight:
319.2927
IUPAC Name:
3-methoxy-1,7-dinitro-10H-phenothiazine
InChI:
InChI=1S/C13H9N3O5S/c1-21-8-5-10(16(19)20)13-12(6-8)22-11-4-7(15(17)18)2-3-9(11)14-13/h2-6,14H,1H3
InChI Key:
OHDVEOIDUZWHCT-UHFFFAOYSA-N
SMILES:
COc1cc2Sc3cc(ccc3Nc2c(c1)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.026g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.291g/mol
Monoisotopic Mass:
319.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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