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Home > Boronic Acids > 85199-06-0
85199-06-0 | 2,5-Dimethylphenylboronic acid
CAS No: 85199-06-0 Catalog No: AG003G05 MDL No:MFCD01863525
Product Description
Catalog Number:
AG003G05
Chemical Name:
2,5-Dimethylphenylboronic acid
CAS Number:
85199-06-0
Molecular Formula:
C8H11BO2
Molecular Weight:
149.9827
MDL Number:
MFCD01863525
IUPAC Name:
(2,5-dimethylphenyl)boronic acid
InChI:
InChI=1S/C8H11BO2/c1-6-3-4-7(2)8(5-6)9(10)11/h3-5,10-11H,1-2H3
InChI Key:
OOMZKLJLVGQZGV-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)B(O)O)C
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.085g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
149.984g/mol
Monoisotopic Mass:
150.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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