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22190-40-5 | 1-(6-Bromo-3,4-dihydroquinolin-1(2H)-yl)ethanone
CAS No: 22190-40-5 Catalog No: AG003DWO MDL No:MFCD05664819
Product Description
Catalog Number:
AG003DWO
Chemical Name:
1-(6-Bromo-3,4-dihydroquinolin-1(2H)-yl)ethanone
CAS Number:
22190-40-5
Molecular Formula:
C11H12BrNO
Molecular Weight:
254.1231
MDL Number:
MFCD05664819
IUPAC Name:
1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)ethanone
InChI:
InChI=1S/C11H12BrNO/c1-8(14)13-6-2-3-9-7-10(12)4-5-11(9)13/h4-5,7H,2-3,6H2,1H3
InChI Key:
BHQKJGRWIRTURN-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)CCCN2C(=O)C
EC Number:
244-829-8
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.01g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.127g/mol
Monoisotopic Mass:
253.01g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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