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Home > Boronic Acids > 1310403-92-9
1310403-92-9 | Boronic acid, B-(2-ethyl-3,5-dimethylphenyl)-
CAS No: 1310403-92-9 Catalog No: AG000VEC MDL No:MFCD12026722
Product Description
Catalog Number:
AG000VEC
Chemical Name:
Boronic acid, B-(2-ethyl-3,5-dimethylphenyl)-
CAS Number:
1310403-92-9
Molecular Formula:
C10H15BO2
Molecular Weight:
178.0359
MDL Number:
MFCD12026722
IUPAC Name:
(2-ethyl-3,5-dimethylphenyl)boronic acid
InChI:
InChI=1S/C10H15BO2/c1-4-9-8(3)5-7(2)6-10(9)11(12)13/h5-6,12-13H,4H2,1-3H3
InChI Key:
MYSSTSAFZVXTAL-UHFFFAOYSA-N
SMILES:
CCc1c(C)cc(cc1B(O)O)C
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.117g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.038g/mol
Monoisotopic Mass:
178.117g/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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