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161373-47-3 | 3-Cinnolinecarboxylic acid, 4-amino-7-chloro-
CAS No: 161373-47-3 Catalog No: AG001SFA MDL No:
Product Description
Catalog Number:
AG001SFA
Chemical Name:
3-Cinnolinecarboxylic acid, 4-amino-7-chloro-
CAS Number:
161373-47-3
Molecular Formula:
C9H6ClN3O2
Molecular Weight:
223.6158
IUPAC Name:
4-amino-7-chlorocinnoline-3-carboxylic acid
InChI:
InChI=1S/C9H6ClN3O2/c10-4-1-2-5-6(3-4)12-13-8(7(5)11)9(14)15/h1-3H,(H2,11,12)(H,14,15)
InChI Key:
BADWGFOQGQMHJZ-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)nnc(c2N)C(=O)O
NSC Number:
669311
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
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