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88059-21-6 | 1H-Indole-1-carboxylic acid, 4-(bromoacetyl)-, 1,1-dimethylethyl ester
CAS No: 88059-21-6 Catalog No: AG004LCE MDL No:
Product Description
Catalog Number:
AG004LCE
Chemical Name:
1H-Indole-1-carboxylic acid, 4-(bromoacetyl)-, 1,1-dimethylethyl ester
CAS Number:
88059-21-6
Molecular Formula:
C15H16BrNO3
Molecular Weight:
338.1964
IUPAC Name:
tert-butyl 4-(2-bromoacetyl)indole-1-carboxylate
InChI:
InChI=1S/C15H16BrNO3/c1-15(2,3)20-14(19)17-8-7-10-11(13(18)9-16)5-4-6-12(10)17/h4-8H,9H2,1-3H3
InChI Key:
DSSOPPJFASFGIF-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1cccc2c1ccn2C(=O)OC(C)(C)C
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.031g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.201g/mol
Monoisotopic Mass:
337.031g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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