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100119-17-3 | 8-Quinolinol, 5-chloro-7-[(dimethylamino)methyl]-
CAS No: 100119-17-3 Catalog No: AG0000ZX MDL No:
Product Description
Catalog Number:
AG0000ZX
Chemical Name:
8-Quinolinol, 5-chloro-7-[(dimethylamino)methyl]-
CAS Number:
100119-17-3
Molecular Formula:
C12H13ClN2O
Molecular Weight:
236.6974
IUPAC Name:
5-chloro-7-[(dimethylamino)methyl]quinolin-8-ol
InChI:
InChI=1S/C12H13ClN2O/c1-15(2)7-8-6-10(13)9-4-3-5-14-11(9)12(8)16/h3-6,16H,7H2,1-2H3
InChI Key:
XDBJPIMUEMEJLT-UHFFFAOYSA-N
SMILES:
CN(Cc1cc(Cl)c2c(c1O)nccc2)C
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.072g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.699g/mol
Monoisotopic Mass:
236.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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