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129722-34-5 | 2(1H)-Quinolinone, 7-(4-bromobutoxy)-3,4-dihydro-
CAS No: 129722-34-5 Catalog No: AG000TMD MDL No:MFCD06658540
Product Description
Catalog Number:
AG000TMD
Chemical Name:
2(1H)-Quinolinone, 7-(4-bromobutoxy)-3,4-dihydro-
CAS Number:
129722-34-5
Molecular Formula:
C13H16BrNO2
Molecular Weight:
298.1756
MDL Number:
MFCD06658540
IUPAC Name:
7-(4-bromobutoxy)-3,4-dihydro-1H-quinolin-2-one
InChI:
InChI=1S/C13H16BrNO2/c14-7-1-2-8-17-11-5-3-10-4-6-13(16)15-12(10)9-11/h3,5,9H,1-2,4,6-8H2,(H,15,16)
InChI Key:
URHLNHVYMNBPEO-UHFFFAOYSA-N
SMILES:
BrCCCCOc1ccc2c(c1)NC(=O)CC2
EC Number:
603-356-0
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.036g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.18g/mol
Monoisotopic Mass:
297.036g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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