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Home > Boronic Acids > 1218790-97-6
1218790-97-6 | Boronic acid, B-[6-(phenylmethoxy)-1H-indol-2-yl]-
CAS No: 1218790-97-6 Catalog No: AG0016B9 MDL No:MFCD11858371
Product Description
Catalog Number:
AG0016B9
Chemical Name:
Boronic acid, B-[6-(phenylmethoxy)-1H-indol-2-yl]-
CAS Number:
1218790-97-6
Molecular Formula:
C15H14BNO3
Molecular Weight:
267.0876
MDL Number:
MFCD11858371
IUPAC Name:
(6-phenylmethoxy-1H-indol-2-yl)boronic acid
InChI:
InChI=1S/C15H14BNO3/c18-16(19)15-8-12-6-7-13(9-14(12)17-15)20-10-11-4-2-1-3-5-11/h1-9,17-19H,10H2
InChI Key:
NPFJJCROCCUTSJ-UHFFFAOYSA-N
SMILES:
OB(c1cc2c([nH]1)cc(cc2)OCc1ccccc1)O
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.107g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
267.091g/mol
Monoisotopic Mass:
267.107g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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