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128253-95-2 | 7-Bromo-10H-indolo[3,2-b]quinoline-11-carboxylic acid
CAS No: 128253-95-2 Catalog No: AG01F2KO MDL No:
Product Description
Catalog Number:
AG01F2KO
Chemical Name:
7-Bromo-10H-indolo[3,2-b]quinoline-11-carboxylic acid
CAS Number:
128253-95-2
Molecular Formula:
C16H9BrN2O2
Molecular Weight:
341.1589
IUPAC Name:
7-bromo-10H-indolo[3,2-b]quinoline-11-carboxylic acid
InChI:
InChI=1S/C16H9BrN2O2/c17-8-5-6-12-10(7-8)14-15(19-12)13(16(20)21)9-3-1-2-4-11(9)18-14/h1-7,19H,(H,20,21)
InChI Key:
NBNHXTSBMBIUDS-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c1nc3ccccc3c(c1[nH]2)C(=O)O
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.985g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
341.164g/mol
Monoisotopic Mass:
339.985g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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