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Home > Boronic Acids > 1000068-67-6
1000068-67-6 | 1H-Indole-1-carboxylic acid, 2-borono-5-nitro-, 1-(1,1-dimethylethyl) ester
CAS No: 1000068-67-6 Catalog No: AG009PRN MDL No:
Product Description
Catalog Number:
AG009PRN
Chemical Name:
1H-Indole-1-carboxylic acid, 2-borono-5-nitro-, 1-(1,1-dimethylethyl) ester
CAS Number:
1000068-67-6
IUPAC Name:
[1-[(2-methylpropan-2-yl)oxycarbonyl]-5-nitroindol-2-yl]boronic acid
InChI:
InChI=1S/C13H15BN2O6/c1-13(2,3)22-12(17)15-10-5-4-9(16(20)21)6-8(10)7-11(15)14(18)19/h4-7,18-19H,1-3H3
InChI Key:
XALVHLSGJNNUFQ-UHFFFAOYSA-N
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.102g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
306.081g/mol
Monoisotopic Mass:
306.102g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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