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Home > Indoles and Oxindole > 885273-73-4
885273-73-4 | tert-Butyl 1H-indol-6-ylcarbamate
CAS No: 885273-73-4 Catalog No: AG00472A MDL No:MFCD04114770
Product Description
Catalog Number:
AG00472A
Chemical Name:
tert-Butyl 1H-indol-6-ylcarbamate
CAS Number:
885273-73-4
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
MDL Number:
MFCD04114770
IUPAC Name:
tert-butyl N-(1H-indol-6-yl)carbamate
InChI:
InChI=1S/C13H16N2O2/c1-13(2,3)17-12(16)15-10-5-4-9-6-7-14-11(9)8-10/h4-8,14H,1-3H3,(H,15,16)
InChI Key:
DVDFTRSGEMTSAL-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1ccc2c(c1)[nH]cc2
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.283g/mol
Monoisotopic Mass:
232.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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