C1CC12C(=O)NC3=C(O2)C=CC(=C3)Br
CAS: 552832-59-4
Nombre: 6-bromospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-3-one
SMILES: C1CC12C(=O)NC3=C(O2)C=CC(=C3)Br

Molecular Processing

Molecular formula
C10H8BrNO2
Molecular weight
254.08
Exact mass
252.9738
XLogP
2.31
TPSA
38.33
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
14
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
55.36

Supplementary Information

InChIKey: WBJKUJQWVVFJAS-UHFFFAOYSA-N
Sinónimos
6-bromospiro[benzo[b][1,4]oxazine-2,1'-cyclopropan]-3(4H)-one552832-59-4SCHEMBL1670220WBJKUJQWVVFJAS-UHFFFAOYSA-N6-bromospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-3-one
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