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913836-24-5 | tert-Butyl 4-nitro-1H-indole-1-carboxylate
CAS No: 913836-24-5 Catalog No: AG003E22 MDL No:MFCD08689543
Product Description
Catalog Number:
AG003E22
Chemical Name:
tert-Butyl 4-nitro-1H-indole-1-carboxylate
CAS Number:
913836-24-5
Molecular Formula:
C13H14N2O4
Molecular Weight:
262.2613
MDL Number:
MFCD08689543
IUPAC Name:
tert-butyl 4-nitroindole-1-carboxylate
InChI:
InChI=1S/C13H14N2O4/c1-13(2,3)19-12(16)14-8-7-9-10(14)5-4-6-11(9)15(17)18/h4-8H,1-3H3
InChI Key:
UKMLUDGMHPZXGN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1ccn2C(=O)OC(C)(C)C
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.265g/mol
Monoisotopic Mass:
262.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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