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147621-26-9 | 1H-Indole-1-carboxylic acid, 6-bromo-, 1,1-dimethylethyl ester
CAS No: 147621-26-9 Catalog No: AG001F1W MDL No:MFCD09954826
Product Description
Catalog Number:
AG001F1W
Chemical Name:
1H-Indole-1-carboxylic acid, 6-bromo-, 1,1-dimethylethyl ester
CAS Number:
147621-26-9
Molecular Formula:
C13H14BrNO2
Molecular Weight:
296.1598
MDL Number:
MFCD09954826
IUPAC Name:
tert-butyl 6-bromoindole-1-carboxylate
InChI:
InChI=1S/C13H14BrNO2/c1-13(2,3)17-12(16)15-7-6-9-4-5-10(14)8-11(9)15/h4-8H,1-3H3
InChI Key:
OUOWFTDOMYJYKB-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)n(cc2)C(=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:
295.021g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.164g/mol
Monoisotopic Mass:
295.021g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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