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139266-28-7 | 2-Quinolinecarboxylic acid, 5,7-dichloro-1,2,3,4-tetrahydro-, (2R)-
CAS No: 139266-28-7 Catalog No: AG001AM3 MDL No:
Product Description
Catalog Number:
AG001AM3
Chemical Name:
2-Quinolinecarboxylic acid, 5,7-dichloro-1,2,3,4-tetrahydro-, (2R)-
CAS Number:
139266-28-7
Molecular Formula:
C10H9Cl2NO2
Molecular Weight:
246.0900
IUPAC Name:
5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
InChI:
InChI=1S/C10H9Cl2NO2/c11-5-3-7(12)6-1-2-8(10(14)15)13-9(6)4-5/h3-4,8,13H,1-2H2,(H,14,15)
InChI Key:
OCQTWVCRQTZDDS-UHFFFAOYSA-N
SMILES:
Clc1cc2N[C@H](CCc2c(c1)Cl)C(=O)O
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.001g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.087g/mol
Monoisotopic Mass:
245.001g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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