C1COC2=C(C=CC(=C2)Br)C(=C1C=O)Cl
이름: 8-bromo-5-chloro-2,3-dihydro-1-benzoxepine-4-carbaldehyde
SMILES: C1COC2=C(C=CC(=C2)Br)C(=C1C=O)Cl

Molecular Processing

Molecular formula
C11H8BrClO2
Molecular weight
287.54
Exact mass
285.9396
XLogP
3.38
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
63.09

Supplementary Information

InChIKey: NVHRFCOKIRACCJ-UHFFFAOYSA-N
동의어
SCHEMBL988496NVHRFCOKIRACCJ-UHFFFAOYSA-N(Z)-8-bromo-5-chloro-2,3-dihydrobenzo[b]oxepine-4-carbaldehyde
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