C1COC2=C(C=CC(=C2)Br)C(=O)C1Br
CAS: 1189817-60-4
Name: 4,8-dibromo-3,4-dihydro-2H-1-benzoxepin-5-one
SMILES: C1COC2=C(C=CC(=C2)Br)C(=O)C1Br

Molecular Processing

Molecular formula
C10H8Br2O2
Molecular weight
319.98
Exact mass
317.8891
XLogP
3.18
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
61.3

Supplementary Information

InChIKey: MFGXCGHHHBLUMQ-UHFFFAOYSA-N
Synonyme
4,8-dibromo-3,4-dihydrobenzo[b]oxepin-5(2H)-one1189817-60-44,8-dibromo-3,4-dihydro-2H-1-benzoxepin-5-one4,8-dibromo-3,4-dihydro-2H-benzo[b]oxepin-5-oneSCHEMBL989401MFGXCGHHHBLUMQ-UHFFFAOYSA-N4,8-dibromo-3,4-dihydro-2Hbenzo[b]oxepin-5-oneA1-09706
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