Home Halogens 6-[(2-chlorophenyl)sulfanyl]pyridazine-3-carboxylic acid

6-[(2-chlorophenyl)sulfanyl]pyridazine-3-carboxylic acid

CAS No.:
1183813-48-0
Catalog Number:
AG019QKK
Molecular Formula:
C11H7ClN2O2S
Molecular Weight:
266.7035
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Product Description
Catalog Number:
AG019QKK
Chemical Name:
6-[(2-chlorophenyl)sulfanyl]pyridazine-3-carboxylic acid
CAS Number:
1183813-48-0
Molecular Formula:
C11H7ClN2O2S
Molecular Weight:
266.7035
MDL Number:
MFCD12722833
IUPAC Name:
6-(2-chlorophenyl)sulfanylpyridazine-3-carboxylic acid
InChI:
InChI=1S/C11H7ClN2O2S/c12-7-3-1-2-4-9(7)17-10-6-5-8(11(15)16)13-14-10/h1-6H,(H,15,16)
InChI Key:
VHJHSTSBPHUOMQ-UHFFFAOYSA-N
SMILES:
Clc1ccccc1Sc1ccc(nn1)C(=O)O
Properties
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.992g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
266.699g/mol
Monoisotopic Mass:
265.992g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
88.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties