Home Halogens 3-Cinnolinecarboxylic acid, 4-amino-6-chloro-

3-Cinnolinecarboxylic acid, 4-amino-6-chloro-

CAS No.:
161373-46-2
Catalog Number:
AG001SFB
Molecular Formula:
C9H6ClN3O2
Molecular Weight:
223.6158
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Product Description
Catalog Number:
AG001SFB
Chemical Name:
3-Cinnolinecarboxylic acid, 4-amino-6-chloro-
CAS Number:
161373-46-2
Molecular Formula:
C9H6ClN3O2
Molecular Weight:
223.6158
MDL Number:
MFCD01752096
IUPAC Name:
4-amino-6-chlorocinnoline-3-carboxylic acid
InChI:
InChI=1S/C9H6ClN3O2/c10-4-1-2-6-5(3-4)7(11)8(9(14)15)13-12-6/h1-3H,(H2,11,12)(H,14,15)
InChI Key:
HAKAGWNOVFLFAZ-UHFFFAOYSA-N
SMILES:
Nc1c(nnc2c1cc(Cl)cc2)C(=O)O
NSC Number:
669310
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.015g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
223.616g/mol
Monoisotopic Mass:
223.015g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
89.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties