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1195785-11-5 | 1H-Indole-1-carboxylic acid, 3-formyl-4-nitro-, 1,1-dimethylethyl ester
CAS No: 1195785-11-5 Catalog No: AG000P86 MDL No:MFCD26743646
Product Description
Catalog Number:
AG000P86
Chemical Name:
1H-Indole-1-carboxylic acid, 3-formyl-4-nitro-, 1,1-dimethylethyl ester
CAS Number:
1195785-11-5
Molecular Formula:
C14H14N2O5
Molecular Weight:
290.2714
MDL Number:
MFCD26743646
IUPAC Name:
tert-butyl 3-formyl-4-nitroindole-1-carboxylate
InChI:
InChI=1S/C14H14N2O5/c1-14(2,3)21-13(18)15-7-9(8-17)12-10(15)5-4-6-11(12)16(19)20/h4-8H,1-3H3
InChI Key:
KXQLLEWIPLWWHS-UHFFFAOYSA-N
SMILES:
O=Cc1cn(c2c1c(ccc2)[N+](=O)[O-])C(=O)OC(C)(C)C
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.09g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.275g/mol
Monoisotopic Mass:
290.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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