CC(C)(C)OC(=O)N1C=CC2=C1C=CC(=C2)Br
CAS: 182344-70-3
Name: tert-butyl 5-bromoindole-1-carboxylate
SMILES: CC(C)(C)OC(=O)N1C=CC2=C1C=CC(=C2)Br

Molecular Processing

Molecular formula
C13H14BrNO2
Molecular weight
296.16
Exact mass
295.0208
XLogP
4.19
TPSA
31.23
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
71.27

Supplementary Information

InChIKey: PBWDRTGTQIXVBR-UHFFFAOYSA-N
Synonyme
182344-70-3N-Boc-5-bromoindoleDTXSID90369512RefChem:363489DTXCID50320548627-270-8tert-Butyl 5-Bromo-1H-indole-1-carboxylatetert-Butyl 5-bromoindole-1-carboxylate5-BROMO-1-TERT-BUTOXYCARBONYLINDOLE1-BOC-5-bromoindole1H-INDOLE-1-CARBOXYLIC ACID, 5-BROMO-, 1,1-DIMETHYLETHYL ESTERMFCD02090067tert-butyl 5-bromoindolecarboxylatetert-Butyl5-bromo-1H-indole-1-carboxylateMaybridge3_0055551-Boc-5-bromo-1H-indoleN-Boc-5-bromoindole, 97%SCHEMBL265019SCHEMBL475285orb17440355-BROMO-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTERPBWDRTGTQIXVBR-UHFFFAOYSA-NHMS1446M11HHA344701-(t-butoxycarbonyl)-5-bromoindoleAB8578CCG-54542SBB054558AKOS015837005tert-butyl 5-bromoindol-1-carboxylate
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