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261732-38-1 | 1H-Indole-1-carboxylic acid, 5-bromo-2,3-dihydro-, 1,1-dimethylethyl ester
CAS No: 261732-38-1 Catalog No: AG002S0H MDL No:MFCD08059280
Product Description
Catalog Number:
AG002S0H
Chemical Name:
1H-Indole-1-carboxylic acid, 5-bromo-2,3-dihydro-, 1,1-dimethylethyl ester
CAS Number:
261732-38-1
Molecular Formula:
C13H16BrNO2
Molecular Weight:
298.1756
MDL Number:
MFCD08059280
IUPAC Name:
tert-butyl 5-bromo-2,3-dihydroindole-1-carboxylate
InChI:
InChI=1S/C13H16BrNO2/c1-13(2,3)17-12(16)15-7-6-9-8-10(14)4-5-11(9)15/h4-5,8H,6-7H2,1-3H3
InChI Key:
UOCVSZYBRMGQOL-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)CCN2C(=O)OC(C)(C)C
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.036g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.18g/mol
Monoisotopic Mass:
297.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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