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55299-98-4 | 3H,6H,7H,8H,9H-imidazo[4,5-f]quinoline dihydrochloride
CAS No: 55299-98-4 Catalog No: AG01EJ53 MDL No:MFCD31616991
Product Description
Catalog Number:
AG01EJ53
Chemical Name:
3H,6H,7H,8H,9H-imidazo[4,5-f]quinoline dihydrochloride
CAS Number:
55299-98-4
Molecular Formula:
C10H13Cl2N3
Molecular Weight:
246.1363
MDL Number:
MFCD31616991
IUPAC Name:
6,7,8,9-tetrahydro-3H-imidazo[4,5-f]quinoline;dihydrochloride
InChI:
InChI=1S/C10H11N3.2ClH/c1-2-7-8(11-5-1)3-4-9-10(7)13-6-12-9;;/h3-4,6,11H,1-2,5H2,(H,12,13);2*1H
InChI Key:
JTWCVYRFBWQVJI-UHFFFAOYSA-N
SMILES:
C1CNc2c(C1)c1nc[nH]c1cc2.Cl.Cl
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.049g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
246.135g/mol
Monoisotopic Mass:
245.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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