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Home > Boronic Acids > 870778-94-2
870778-94-2 | (2-Isobutoxy-5-methylphenyl)boronic acid
CAS No: 870778-94-2 Catalog No: AG003HH2 MDL No:MFCD07784351
Product Description
Catalog Number:
AG003HH2
Chemical Name:
(2-Isobutoxy-5-methylphenyl)boronic acid
CAS Number:
870778-94-2
Molecular Formula:
C11H17BO3
Molecular Weight:
208.0619
MDL Number:
MFCD07784351
IUPAC Name:
[5-methyl-2-(2-methylpropoxy)phenyl]boronic acid
InChI:
InChI=1S/C11H17BO3/c1-8(2)7-15-11-5-4-9(3)6-10(11)12(13)14/h4-6,8,13-14H,7H2,1-3H3
InChI Key:
DJGCEUCMCLMRKN-UHFFFAOYSA-N
SMILES:
CC(COc1ccc(cc1B(O)O)C)C
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.127g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.064g/mol
Monoisotopic Mass:
208.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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