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132691-83-9 | 4-Quinolineacetic acid, 2-carboxy-5,7-dichloro-1,2,3,4-tetrahydro-, trans- (9CI)
CAS No: 132691-83-9 Catalog No: AG00110X MDL No:
Product Description
Catalog Number:
AG00110X
Chemical Name:
4-Quinolineacetic acid, 2-carboxy-5,7-dichloro-1,2,3,4-tetrahydro-, trans- (9CI)
CAS Number:
132691-83-9
Molecular Formula:
C12H11Cl2NO4
Molecular Weight:
304.1260
IUPAC Name:
4-(carboxymethyl)-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
InChI:
InChI=1S/C12H11Cl2NO4/c13-6-3-7(14)11-5(2-10(16)17)1-9(12(18)19)15-8(11)4-6/h3-5,9,15H,1-2H2,(H,16,17)(H,18,19)
InChI Key:
CHHZLBUNRQPRRK-UHFFFAOYSA-N
SMILES:
OC(=O)C[C@H]1C[C@@H](Nc2c1c(Cl)cc(c2)Cl)C(=O)O
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.007g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
304.123g/mol
Monoisotopic Mass:
303.007g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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