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Home > Nitro Compounds > 2060047-25-6
2060047-25-6 | 2-(3-methoxy-7-nitro-10H-phenothiazin-10-yl)ethan-1-ol
CAS No: 2060047-25-6 Catalog No: AG01BP2S MDL No:MFCD30499842
Product Description
Catalog Number:
AG01BP2S
Chemical Name:
2-(3-methoxy-7-nitro-10H-phenothiazin-10-yl)ethan-1-ol
CAS Number:
2060047-25-6
Molecular Formula:
C15H14N2O4S
Molecular Weight:
318.3477
MDL Number:
MFCD30499842
IUPAC Name:
2-(3-methoxy-7-nitrophenothiazin-10-yl)ethanol
InChI:
InChI=1S/C15H14N2O4S/c1-21-11-3-5-13-15(9-11)22-14-8-10(17(19)20)2-4-12(14)16(13)6-7-18/h2-5,8-9,18H,6-7H2,1H3
InChI Key:
JTWYKTYYIRGJEP-UHFFFAOYSA-N
SMILES:
OCCN1c2ccc(cc2Sc2c1ccc(c2)[N+](=O)[O-])OC
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.067g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.347g/mol
Monoisotopic Mass:
318.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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