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89673-36-9 | tert-Butyl benzo[b]thiophen-2-ylcarbamate
CAS No: 89673-36-9 Catalog No: AG0044IE MDL No:MFCD22056377
Product Description
Catalog Number:
AG0044IE
Chemical Name:
tert-Butyl benzo[b]thiophen-2-ylcarbamate
CAS Number:
89673-36-9
Molecular Formula:
C13H15NO2S
Molecular Weight:
249.3287
MDL Number:
MFCD22056377
IUPAC Name:
tert-butyl N-(1-benzothiophen-2-yl)carbamate
InChI:
InChI=1S/C13H15NO2S/c1-13(2,3)16-12(15)14-11-8-9-6-4-5-7-10(9)17-11/h4-8H,1-3H3,(H,14,15)
InChI Key:
CNFLHJOYSZBEEL-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1cc2c(s1)cccc2
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.082g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.328g/mol
Monoisotopic Mass:
249.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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