C1=CC=C2C(=C1)C=NO2
CAS: 271-95-4
Название: 1,2-benzoxazole
SMILES: C1=CC=C2C(=C1)C=NO2

Molecular Processing

Molecular formula
C7H5NO
Molecular weight
119.12
Exact mass
119.0371
XLogP
1.83
TPSA
26.03
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
9
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0
Molar refractivity
34.01

Supplementary Information

InChIKey: KTZQTRPPVKQPFO-UHFFFAOYSA-N
Синонимы
1,2-Benzisoxazole271-95-4Benz(d)isoxazoleDTXSID20181567RefChem:791005DTXCID60104058205-983-1Benzo[d]isoxazole1,2-benzoxazoleIndoxazenebenzisoxazole4,5-Benzisoxazole1-Oxa-2-aza-1H-indeneMFCD00005852D879RKM5NQIsoindoxazine4,5-Benzisoazole1,2-benzoisoxazoleEINECS 205-983-11-Oxa-2-azaindeneUNII-D879RKM5NQSCHEMBL2724SCHEMBL8438SCHEMBL19124SCHEMBL130357SCHEMBL130416SCHEMBL130886SCHEMBL452158CHEMBL314871orb3029477
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