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1227269-41-1 | Carbamic acid, N-(4-methoxy-1H-indol-6-yl)-, 1,1-dimethylethyl ester
CAS No: 1227269-41-1 Catalog No: AG000J61 MDL No:MFCD16875710
Product Description
Catalog Number:
AG000J61
Chemical Name:
Carbamic acid, N-(4-methoxy-1H-indol-6-yl)-, 1,1-dimethylethyl ester
CAS Number:
1227269-41-1
Molecular Formula:
C14H18N2O3
Molecular Weight:
262.3043
MDL Number:
MFCD16875710
IUPAC Name:
tert-butyl N-(4-methoxy-1H-indol-6-yl)carbamate
InChI:
InChI=1S/C14H18N2O3/c1-14(2,3)19-13(17)16-9-7-11-10(5-6-15-11)12(8-9)18-4/h5-8,15H,1-4H3,(H,16,17)
InChI Key:
NGDCKHOVEWTNJK-UHFFFAOYSA-N
SMILES:
COc1cc(NC(=O)OC(C)(C)C)cc2c1cc[nH]2
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.132g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.309g/mol
Monoisotopic Mass:
262.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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