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18005-03-3 | Quinoline, 2,3-dimethyl-, perchlorate (1:1)
CAS No: 18005-03-3 Catalog No: AG0021O7 MDL No:
Product Description
Catalog Number:
AG0021O7
Chemical Name:
Quinoline, 2,3-dimethyl-, perchlorate (1:1)
CAS Number:
18005-03-3
Molecular Formula:
C11H12ClNO4
Molecular Weight:
257.6703
IUPAC Name:
2,3-dimethylquinoline;perchloric acid
InChI:
InChI=1S/C11H11N.ClHO4/c1-8-7-10-5-3-4-6-11(10)12-9(8)2;2-1(3,4)5/h3-7H,1-2H3;(H,2,3,4,5)
InChI Key:
CQOPBYGUGIFEBJ-UHFFFAOYSA-N
SMILES:
O[Cl](=O)(=O)=O.Cc1cc2ccccc2nc1C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.045g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.67g/mol
Monoisotopic Mass:
257.045g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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