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Home > Boronic Acids > 957034-29-6
957034-29-6 | (4-Bromo-1-(tert-butoxycarbonyl);-1H-indol-2-yl);boronic acid
CAS No: 957034-29-6 Catalog No: AG003BUO MDL No:MFCD06801699
Product Description
Catalog Number:
AG003BUO
Chemical Name:
(4-Bromo-1-(tert-butoxycarbonyl);-1H-indol-2-yl);boronic acid
CAS Number:
957034-29-6
Molecular Formula:
C13H15BBrNO4
Molecular Weight:
339.9775
MDL Number:
MFCD06801699
IUPAC Name:
[4-bromo-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
InChI:
InChI=1S/C13H15BBrNO4/c1-13(2,3)20-12(17)16-10-6-4-5-9(15)8(10)7-11(16)14(18)19/h4-7,18-19H,1-3H3
InChI Key:
WWSBCMYHAIKIPV-UHFFFAOYSA-N
SMILES:
OB(c1cc2c(n1C(=O)OC(C)(C)C)cccc2Br)O
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.028g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
339.98g/mol
Monoisotopic Mass:
339.028g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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