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Home > Boronic Acids > 1072951-97-3
1072951-97-3 | (2-Isobutoxy-6-methoxyphenyl)boronic acid
CAS No: 1072951-97-3 Catalog No: AG003BNK MDL No:MFCD08276827
Product Description
Catalog Number:
AG003BNK
Chemical Name:
(2-Isobutoxy-6-methoxyphenyl)boronic acid
CAS Number:
1072951-97-3
Molecular Formula:
C11H17BO4
Molecular Weight:
224.0613
MDL Number:
MFCD08276827
IUPAC Name:
[2-methoxy-6-(2-methylpropoxy)phenyl]boronic acid
InChI:
InChI=1S/C11H17BO4/c1-8(2)7-16-10-6-4-5-9(15-3)11(10)12(13)14/h4-6,8,13-14H,7H2,1-3H3
InChI Key:
RROWNDUHJNWYQP-UHFFFAOYSA-N
SMILES:
COc1cccc(c1B(O)O)OCC(C)C
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.122g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.063g/mol
Monoisotopic Mass:
224.122g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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