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1017464-08-2 | 3-Quinolinemethanol, 2-chloro-5,7-dimethyl-
CAS No: 1017464-08-2 Catalog No: AG0005DP MDL No:
Product Description
Catalog Number:
AG0005DP
Chemical Name:
3-Quinolinemethanol, 2-chloro-5,7-dimethyl-
CAS Number:
1017464-08-2
Molecular Formula:
C12H12ClNO
Molecular Weight:
221.6828
IUPAC Name:
(2-chloro-5,7-dimethylquinolin-3-yl)methanol
InChI:
InChI=1S/C12H12ClNO/c1-7-3-8(2)10-5-9(6-15)12(13)14-11(10)4-7/h3-5,15H,6H2,1-2H3
InChI Key:
LNHSXHRPUHHWIF-UHFFFAOYSA-N
SMILES:
OCc1cc2c(C)cc(cc2nc1Cl)C
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.061g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.684g/mol
Monoisotopic Mass:
221.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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