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1621963-70-9 | 1H-Indole-1-carboxylic acid, 5-bromo-7-methyl-, 1,1-dimethylethyl ester
CAS No: 1621963-70-9 Catalog No: AG001SUS MDL No:
Product Description
Catalog Number:
AG001SUS
Chemical Name:
1H-Indole-1-carboxylic acid, 5-bromo-7-methyl-, 1,1-dimethylethyl ester
CAS Number:
1621963-70-9
Molecular Formula:
C14H16BrNO2
Molecular Weight:
310.1863
IUPAC Name:
tert-butyl 5-bromo-7-methylindole-1-carboxylate
InChI:
InChI=1S/C14H16BrNO2/c1-9-7-11(15)8-10-5-6-16(12(9)10)13(17)18-14(2,3)4/h5-8H,1-4H3
InChI Key:
UOYGFYZEZWSZSV-UHFFFAOYSA-N
SMILES:
Brc1cc(C)c2c(c1)ccn2C(=O)OC(C)(C)C
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.036g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.191g/mol
Monoisotopic Mass:
309.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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