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115393-27-6 | 3(2H)-Pyridazinethione, 4-amino-6-chloro-2-(4-nitrophenyl)-
CAS No: 115393-27-6 Catalog No: AG000FWZ MDL No:
Product Description
Catalog Number:
AG000FWZ
Chemical Name:
3(2H)-Pyridazinethione, 4-amino-6-chloro-2-(4-nitrophenyl)-
CAS Number:
115393-27-6
Molecular Formula:
C10H7ClN4O2S
Molecular Weight:
282.7062
IUPAC Name:
4-amino-6-chloro-2-(4-nitrophenyl)pyridazine-3-thione
InChI:
InChI=1S/C10H7ClN4O2S/c11-9-5-8(12)10(18)14(13-9)6-1-3-7(4-2-6)15(16)17/h1-5H,12H2
InChI Key:
QZYXGMTWLQODJB-UHFFFAOYSA-N
SMILES:
Clc1cc(N)c(=S)n(n1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.998g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.702g/mol
Monoisotopic Mass:
281.998g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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