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819850-13-0 | Carbamic acid,1H-indol-4-yl-, 1,1-dimethylethyl ester (9CI)
CAS No: 819850-13-0 Catalog No: AG0054UN MDL No:MFCD04973303
Product Description
Catalog Number:
AG0054UN
Chemical Name:
Carbamic acid,1H-indol-4-yl-, 1,1-dimethylethyl ester (9CI)
CAS Number:
819850-13-0
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
MDL Number:
MFCD04973303
IUPAC Name:
tert-butyl N-(1H-indol-4-yl)carbamate
InChI:
InChI=1S/C13H16N2O2/c1-13(2,3)17-12(16)15-11-6-4-5-10-9(11)7-8-14-10/h4-8,14H,1-3H3,(H,15,16)
InChI Key:
KOKLMCWYZCHYEO-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1cccc2c1cc[nH]2
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:
2.6
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