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Home > Boronic Acids > 89787-12-2
89787-12-2 | (2-Isopropylphenyl)boronic acid
CAS No: 89787-12-2 Catalog No: AG003ZW5 MDL No:MFCD03411937
Product Description
Catalog Number:
AG003ZW5
Chemical Name:
(2-Isopropylphenyl)boronic acid
CAS Number:
89787-12-2
Molecular Formula:
C9H13BO2
Molecular Weight:
164.0093
MDL Number:
MFCD03411937
IUPAC Name:
(2-propan-2-ylphenyl)boronic acid
InChI:
InChI=1S/C9H13BO2/c1-7(2)8-5-3-4-6-9(8)10(11)12/h3-7,11-12H,1-2H3
InChI Key:
KTZUVUWIBZMHMC-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1B(O)O)C
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.101g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
164.011g/mol
Monoisotopic Mass:
164.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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