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203395-59-9 | 2(1H)-Quinolinone, 7-(4-bromobutoxy)-
CAS No: 203395-59-9 Catalog No: AG0028V5 MDL No:MFCD09753615
Product Description
Catalog Number:
AG0028V5
Chemical Name:
2(1H)-Quinolinone, 7-(4-bromobutoxy)-
CAS Number:
203395-59-9
Molecular Formula:
C13H14BrNO2
Molecular Weight:
296.1598
MDL Number:
MFCD09753615
IUPAC Name:
7-(4-bromobutoxy)-1H-quinolin-2-one
InChI:
InChI=1S/C13H14BrNO2/c14-7-1-2-8-17-11-5-3-10-4-6-13(16)15-12(10)9-11/h3-6,9H,1-2,7-8H2,(H,15,16)
InChI Key:
MBOHAVAGDOGRBS-UHFFFAOYSA-N
SMILES:
BrCCCCOc1ccc2c(c1)[nH]c(=O)cc2
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.021g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.164g/mol
Monoisotopic Mass:
295.021g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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