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Home > Nitro Compounds > 95642-54-9
95642-54-9 | 6H-1,3-Thiazin-6-one, 4-hydroxy-2-(4-nitrophenyl)-
CAS No: 95642-54-9 Catalog No: AG00H8QD MDL No:
Product Description
Catalog Number:
AG00H8QD
Chemical Name:
6H-1,3-Thiazin-6-one, 4-hydroxy-2-(4-nitrophenyl)-
CAS Number:
95642-54-9
Molecular Formula:
C10H6N2O4S
Molecular Weight:
250.2306
IUPAC Name:
4-hydroxy-2-(4-nitrophenyl)-1,3-thiazin-6-one
InChI:
InChI=1S/C10H6N2O4S/c13-8-5-9(14)17-10(11-8)6-1-3-7(4-2-6)12(15)16/h1-5,13H
InChI Key:
CUSDNFFUZMRSEL-UHFFFAOYSA-N
SMILES:
Oc1cc(=O)sc(n1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.005g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.228g/mol
Monoisotopic Mass:
250.005g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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