C1=CC2=C(C=C1Br)C=NO2
CAS: 837392-65-1
Название: 5-bromo-1,2-benzoxazole
SMILES: C1=CC2=C(C=C1Br)C=NO2

Molecular Processing

Molecular formula
C7H4BrNO
Molecular weight
198.02
Exact mass
196.9476
XLogP
2.59
TPSA
26.03
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
10
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0
Molar refractivity
41.71

Supplementary Information

InChIKey: XAGKLUNARLSYDT-UHFFFAOYSA-N
Синонимы
5-bromo-1,2-benzoxazoleRefChem:532668886-795-25-bromobenzo[d]isoxazole837392-65-15-Bromo-1,2-benzisoxazole5-Bromo-benzo[d]isoxazoleMFCD066596441,2-BENZISOXAZOLE, 5-BROMO-SCHEMBL207600SCHEMBL3531118SCHEMBL31261817DTXSID00475613XAGKLUNARLSYDT-UHFFFAOYSA-NAKOS006292610AB26012CS-W009036FS-2761SY031939EN300-120888F076169
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