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Home > Nitro Compounds > 74834-97-2
74834-97-2 | 10H-Phenothiazine, 3-ethoxy-7-methyl-1-nitro-
CAS No: 74834-97-2 Catalog No: AG005GVU MDL No:
Product Description
Catalog Number:
AG005GVU
Chemical Name:
10H-Phenothiazine, 3-ethoxy-7-methyl-1-nitro-
CAS Number:
74834-97-2
Molecular Formula:
C15H14N2O3S
Molecular Weight:
302.3483
IUPAC Name:
3-ethoxy-7-methyl-1-nitro-10H-phenothiazine
InChI:
InChI=1S/C15H14N2O3S/c1-3-20-10-7-12(17(18)19)15-14(8-10)21-13-6-9(2)4-5-11(13)16-15/h4-8,16H,3H2,1-2H3
InChI Key:
HMOJGIYUNFFLIM-UHFFFAOYSA-N
SMILES:
CCOc1cc2Sc3cc(C)ccc3Nc2c(c1)[N+](=O)[O-]
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.073g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.348g/mol
Monoisotopic Mass:
302.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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