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Home > Nitro Compounds > 72701-20-3
72701-20-3 | 10H-Phenothiazine, 3-ethoxy-7-nitro-
CAS No: 72701-20-3 Catalog No: AG005FN1 MDL No:
Product Description
Catalog Number:
AG005FN1
Chemical Name:
10H-Phenothiazine, 3-ethoxy-7-nitro-
CAS Number:
72701-20-3
Molecular Formula:
C14H12N2O3S
Molecular Weight:
288.3217
IUPAC Name:
3-ethoxy-7-nitro-10H-phenothiazine
InChI:
InChI=1S/C14H12N2O3S/c1-2-19-10-4-6-12-14(8-10)20-13-7-9(16(17)18)3-5-11(13)15-12/h3-8,15H,2H2,1H3
InChI Key:
PEMOCSCIMDYMBO-UHFFFAOYSA-N
SMILES:
CCOc1ccc2c(c1)Sc1c(N2)ccc(c1)[N+](=O)[O-]
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.057g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.321g/mol
Monoisotopic Mass:
288.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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