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Home > Nitro Compounds > 1628-75-7
1628-75-7 | Ethanone, 1-(1-nitro-10H-phenothiazin-10-yl)-
CAS No: 1628-75-7 Catalog No: AG001TFV MDL No:
Product Description
Catalog Number:
AG001TFV
Chemical Name:
Ethanone, 1-(1-nitro-10H-phenothiazin-10-yl)-
CAS Number:
1628-75-7
Molecular Formula:
C14H10N2O3S
Molecular Weight:
286.3058
IUPAC Name:
1-(1-nitrophenothiazin-10-yl)ethanone
InChI:
InChI=1S/C14H10N2O3S/c1-9(17)15-10-5-2-3-7-12(10)20-13-8-4-6-11(14(13)15)16(18)19/h2-8H,1H3
InChI Key:
BXNTVRVOEOWAHP-UHFFFAOYSA-N
SMILES:
CC(=O)N1c2ccccc2Sc2c1c(ccc2)[N+](=O)[O-]
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.041g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.305g/mol
Monoisotopic Mass:
286.041g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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