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Home > Nitro Compounds > 74834-95-0
74834-95-0 | 10H-Phenothiazine, 3-ethoxy-1,7-dinitro-
CAS No: 74834-95-0 Catalog No: AG005GVV MDL No:
Product Description
Catalog Number:
AG005GVV
Chemical Name:
10H-Phenothiazine, 3-ethoxy-1,7-dinitro-
CAS Number:
74834-95-0
Molecular Formula:
C14H11N3O5S
Molecular Weight:
333.3192
IUPAC Name:
3-ethoxy-1,7-dinitro-10H-phenothiazine
InChI:
InChI=1S/C14H11N3O5S/c1-2-22-9-6-11(17(20)21)14-13(7-9)23-12-5-8(16(18)19)3-4-10(12)15-14/h3-7,15H,2H2,1H3
InChI Key:
URCDNECVLMOMAD-UHFFFAOYSA-N
SMILES:
CCOc1cc2Sc3cc(ccc3Nc2c(c1)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.042g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.318g/mol
Monoisotopic Mass:
333.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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