CN1CC2=C(C1=O)C=C(C=C2)Br
CAS: 1254319-51-1
Nombre: 6-bromo-2-methyl-3H-isoindol-1-one
SMILES: CN1CC2=C(C1=O)C=C(C=C2)Br

Molecular Processing

Molecular formula
C9H8BrNO
Molecular weight
226.07
Exact mass
224.9789
XLogP
2.03
TPSA
20.31
H-bond donors
0
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
49.94

Supplementary Information

InChIKey: DPUVAXLWVRZASN-UHFFFAOYSA-N
Sinónimos
1254319-51-16-bromo-2-methyl-2,3-dihydro-1H-isoindol-1-oneRefChem:540765108-024-46-Bromo-2-methylisoindolin-1-one6-bromo-2-methyl-3H-isoindol-1-oneMFCD176769361H-Isoindol-1-one, 6-broMo-2,3-dihydro-2-Methyl-6-Bromo-2-methyl-2,3-dihydro-isoindol-1-oneSCHEMBL290015SCHEMBL29507022DPUVAXLWVRZASN-UHFFFAOYSA-N6-Bromo-2-methyl-1-isoindolinoneN-methyl-6-bromoisoindoline-1-oneAKOS015898902CS-W022456DS-8083SB66097s102936-Bromo-2-methylisoindolin-1-one 95%SY109151DB-309078EN300-7909076-Bromo-2,3-dihydro-2-methyl-1H-isoindol-1-oneF363311
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