CC(C)(C)OC(=O)N1C=CC2=CC(=C(C=C21)F)Br
CAS: 439226-53-6
Name: tert-butyl 5-bromo-6-fluoroindole-1-carboxylate
SMILES: CC(C)(C)OC(=O)N1C=CC2=CC(=C(C=C21)F)Br

Molecular Processing

Molecular formula
C13H13BrFNO2
Molecular weight
314.15
Exact mass
313.0114
XLogP
4.33
TPSA
31.23
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
71.23

Supplementary Information

InChIKey: OYIYQNNEHGVXDV-UHFFFAOYSA-N
Synonyme
439226-53-6SCHEMBL1035876OYIYQNNEHGVXDV-UHFFFAOYSA-NDB-0704895-Bromo-6-fluoro-indole-1-carboxylic acid tert-butyl ester
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