CCN1C(=O)CCC2=C1C=CC(=C2)Br
CAS: 1092523-04-0
Name: 6-bromo-1-ethyl-3,4-dihydroquinolin-2-one
SMILES: CCN1C(=O)CCC2=C1C=CC(=C2)Br

Molecular Processing

Molecular formula
C11H12BrNO
Molecular weight
254.13
Exact mass
253.0102
XLogP
2.75
TPSA
20.31
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
60.49

Supplementary Information

InChIKey: VAVJMZBEDQKNCB-UHFFFAOYSA-N
Synonyme
1092523-04-06-Bromo-1-ethyl-3,4-dihydroquinolin-2(1H)-one6-bromo-1-ethyl-3,4-dihydroquinolin-2-oneSCHEMBL1119384VAVJMZBEDQKNCB-UHFFFAOYSA-NDB-1294726-bromo-1-ethyl-3,4-dihydro-1H-quinolin-2-one6-bromo-1-ethyl-3,4-dihydro-2(1H)-Quinolinone
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