C1=CC=C2C(=C1)N=CO2
CAS: 273-53-0
Name: 1,3-benzoxazole
SMILES: C1=CC=C2C(=C1)N=CO2

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: BCMCBBGGLRIHSE-UHFFFAOYSA-N
Synonyme
BENZOXAZOLE273-53-01,3-Benzoxazole1-Oxa-3-azaindene1-Oxa-3-aza-1H-indeneBenzoxazolesJ233Y1I55INSC-3982DTXSID8059768CHEBI:38814RefChem:388827DTXCID5037654CHEBI:46700205-988-9BENZO[D]OXAZOLEUSAF EK-5017MFCD00005765BenzooxazoleNSC 3982EINECS 205-988-9UNII-J233Y1I55IAI3-05743NSC3982Benzoxazole, 98%1,3-Benzoxazole #SCHEMBL2223SCHEMBL5739SCHEMBL7903WLN: T56 BN DOJSCHEMBL23760
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