이름: tert-butyl 6-bromo-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCOc2cccc(Br)c2C1Molecular Processing
Molecular formula
C14H18BrNO3
Molecular weight
328.21
Exact mass
327.047
XLogP
3.58
TPSA
38.77
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
76.28
Supplementary Information
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