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Home > Boronic Acids > 352534-80-6
352534-80-6 | (2,4,5-Trimethylphenyl)boronic acid
CAS No: 352534-80-6 Catalog No: AG003BKP MDL No:MFCD03427049
Product Description
Catalog Number:
AG003BKP
Chemical Name:
(2,4,5-Trimethylphenyl)boronic acid
CAS Number:
352534-80-6
Molecular Formula:
C9H13BO2
Molecular Weight:
164.0093
MDL Number:
MFCD03427049
IUPAC Name:
(2,4,5-trimethylphenyl)boronic acid
InChI:
InChI=1S/C9H13BO2/c1-6-4-8(3)9(10(11)12)5-7(6)2/h4-5,11-12H,1-3H3
InChI Key:
NNQHKSYWLLYOHI-UHFFFAOYSA-N
SMILES:
OB(c1cc(C)c(cc1C)C)O
Properties
Complexity:
150
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:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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