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Home > Bromides > 1246471-29-3
1246471-29-3 | 1H-Indole-1-carboxylic acid, 3-bromo-6-nitro-, 1,1-dimethylethyl ester
CAS No: 1246471-29-3 Catalog No: AG000MIS MDL No:MFCD17169909
Product Description
Catalog Number:
AG000MIS
Chemical Name:
1H-Indole-1-carboxylic acid, 3-bromo-6-nitro-, 1,1-dimethylethyl ester
CAS Number:
1246471-29-3
Molecular Formula:
C13H13BrN2O4
Molecular Weight:
341.1573
MDL Number:
MFCD17169909
IUPAC Name:
tert-butyl 3-bromo-6-nitroindole-1-carboxylate
InChI:
InChI=1S/C13H13BrN2O4/c1-13(2,3)20-12(17)15-7-10(14)9-5-4-8(16(18)19)6-11(9)15/h4-7H,1-3H3
InChI Key:
GPNILAWQQQYXJF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)n(cc2Br)C(=O)OC(C)(C)C
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.006g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.161g/mol
Monoisotopic Mass:
340.006g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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