이름: 5-(bromomethyl)-2-methylbenzo[d]oxazole
SMILES:
Cc1nc2cc(CBr)ccc2o1Molecular Processing
Molecular formula
C9H8BrNO
Molecular weight
226.07
Exact mass
224.9789
XLogP
3.03
TPSA
26.03
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
12
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
0.222
Molar refractivity
51.38
Supplementary Information
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