C1CCOC2=C(C1)C=CC(=C2)Br
CAS: 129790-23-4
이름: 8-bromo-2,3,4,5-tetrahydro-1-benzoxepine
SMILES: C1CCOC2=C(C1)C=CC(=C2)Br

Molecular Processing

Molecular formula
C10H11BrO
Molecular weight
227.1
Exact mass
225.9993
XLogP
3.16
TPSA
9.23
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
2
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
52.58

Supplementary Information

InChIKey: JYXFXTKREIMIDI-UHFFFAOYSA-N
동의어
8-Bromo-2,3,4,5-tetrahydrobenzo[b]oxepine129790-23-4SCHEMBL3519647JYXFXTKREIMIDI-UHFFFAOYSA-N8-bromo-2,3,4,5-tetrahydro-1-benzoxepine
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