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132664-40-5 | 2,8-Quinolinedicarboxylic acid, 4-azido-, 2,8-dimethyl ester
CAS No: 132664-40-5 Catalog No: AG0010XY MDL No:
Product Description
Catalog Number:
AG0010XY
Chemical Name:
2,8-Quinolinedicarboxylic acid, 4-azido-, 2,8-dimethyl ester
CAS Number:
132664-40-5
Molecular Formula:
C13H10N4O4
Molecular Weight:
286.2429
IUPAC Name:
4-chloroquinoline-8-carbonitrile
InChI:
InChI=1S/C10H5ClN2/c11-9-4-5-13-10-7(6-12)2-1-3-8(9)10/h1-5H
InChI Key:
OXKQMBHOOISBLS-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1cc(nc2c1cccc2C(=O)OC)C(=O)OC
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.014g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.614g/mol
Monoisotopic Mass:
188.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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