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174021-63-7 | Carbamic acid, N-[2-(5-bromo-1H-indol-3-yl)ethyl]-, 1,1-dimethylethyl ester
CAS No: 174021-63-7 Catalog No: AG001ZEG MDL No:
Product Description
Catalog Number:
AG001ZEG
Chemical Name:
Carbamic acid, N-[2-(5-bromo-1H-indol-3-yl)ethyl]-, 1,1-dimethylethyl ester
CAS Number:
174021-63-7
Molecular Formula:
C15H19BrN2O2
Molecular Weight:
339.2276
IUPAC Name:
tert-butyl N-[2-(5-bromo-1H-indol-3-yl)ethyl]carbamate
InChI:
InChI=1S/C15H19BrN2O2/c1-15(2,3)20-14(19)17-7-6-10-9-18-13-5-4-11(16)8-12(10)13/h4-5,8-9,18H,6-7H2,1-3H3,(H,17,19)
InChI Key:
LBBYTSPEGLJUIK-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCCc1c[nH]c2c1cc(Br)cc2
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.063g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
339.233g/mol
Monoisotopic Mass:
338.063g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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