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37508-66-0 | 7-Bromo-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid
CAS No: 37508-66-0 Catalog No: AG01F2HG MDL No:
Product Description
Catalog Number:
AG01F2HG
Chemical Name:
7-Bromo-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid
CAS Number:
37508-66-0
Molecular Formula:
C13H10BrNO2
Molecular Weight:
292.1280
IUPAC Name:
7-bromo-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid
InChI:
InChI=1S/C13H10BrNO2/c14-7-4-5-11-9(6-7)12(13(16)17)8-2-1-3-10(8)15-11/h4-6H,1-3H2,(H,16,17)
InChI Key:
AWKCBARNJSXTJY-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(C(=O)O)c1c(n2)CCC1
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.989g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.132g/mol
Monoisotopic Mass:
290.989g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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