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74834-93-8 | 10H-Phenothiazine, 7-chloro-3-methoxy-1-nitro-
CAS No: 74834-93-8 Catalog No: AG005GVX MDL No:
Product Description
Catalog Number:
AG005GVX
Chemical Name:
10H-Phenothiazine, 7-chloro-3-methoxy-1-nitro-
CAS Number:
74834-93-8
Molecular Formula:
C13H9ClN2O3S
Molecular Weight:
308.7402
IUPAC Name:
7-chloro-3-methoxy-1-nitro-10H-phenothiazine
InChI:
InChI=1S/C13H9ClN2O3S/c1-19-8-5-10(16(17)18)13-12(6-8)20-11-4-7(14)2-3-9(11)15-13/h2-6,15H,1H3
InChI Key:
CUNDIUZWPOICDV-UHFFFAOYSA-N
SMILES:
COc1cc2Sc3cc(Cl)ccc3Nc2c(c1)[N+](=O)[O-]
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.002g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.736g/mol
Monoisotopic Mass:
308.002g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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