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Home > Bromides > 2055840-81-6
2055840-81-6 | 2H-Isoindole-2-carboxylic acid, 6-bromo-1,3-dihydro-1,1-dimethyl-, 1,1-dimethylethyl ester
CAS No: 2055840-81-6 Catalog No: AG002A73 MDL No:
Product Description
Catalog Number:
AG002A73
Chemical Name:
2H-Isoindole-2-carboxylic acid, 6-bromo-1,3-dihydro-1,1-dimethyl-, 1,1-dimethylethyl ester
CAS Number:
2055840-81-6
Molecular Formula:
C15H20BrNO2
Molecular Weight:
326.2288
IUPAC Name:
tert-butyl 5-bromo-3,3-dimethyl-1H-isoindole-2-carboxylate
InChI:
InChI=1S/C15H20BrNO2/c1-14(2,3)19-13(18)17-9-10-6-7-11(16)8-12(10)15(17,4)5/h6-8H,9H2,1-5H3
InChI Key:
ZCYBWOWJMOPMEM-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)C(C)(C)N(C2)C(=O)OC(C)(C)C
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.068g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.234g/mol
Monoisotopic Mass:
325.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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