C1CC(=O)NC2=C1C=C(C=C2)Br
CAS: 3279-90-1
Name: 6-bromo-3,4-dihydro-1H-quinolin-2-one
SMILES: C1CC(=O)NC2=C1C=C(C=C2)Br

Molecular Processing

Molecular formula
C9H8BrNO
Molecular weight
226.07
Exact mass
224.9789
XLogP
2.33
TPSA
29.1
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
12
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
0.222
Molar refractivity
51.09

Supplementary Information

InChIKey: MQWZSSIUHXNNTM-UHFFFAOYSA-N
Synonyme
3279-90-16-bromo-3,4-dihydroquinolin-2(1H)-oneDTXSID80559546RefChem:307475DTXCID50510326676-036-16-bromo-3,4-dihydro-1h-quinolin-2-one6-Bromo-1,2,3,4-tetrahydro-2-quinolinone6-Bromo-3,4-dihydro-2(1H)-quinolinone6-bromo-1,2,3,4-tetrahydroquinolin-2-one2(1H)-Quinolinone, 6-bromo-3,4-dihydro-MFCD038398326-Bromo-2-oxo-1,2,3,4-tetrahydroquinolineSCHEMBL99208SCHEMBL1744197SCHEMBL50579636-bromo-3,4-dihydrocarbostyrilCHEMBL5871485MQWZSSIUHXNNTM-UHFFFAOYSA-NBDBM261502CS-D1588AC-893AKOS000195881NG-0703SB40598SY0044866-bromo-1,2,3,4-tetrahydroquinol-2-one6-bromo-3,4-dihydroquinolin-2-(1H)-oneEN300-75119US9708268, 5
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