CAS: 515131-35-8
Название: 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
SMILES:
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)C(=O)O)CMolecular Processing
Molecular formula
C14H19BO4
Molecular weight
262.11
Exact mass
262.1376
XLogP
1.99
TPSA
55.76
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
73.85
Supplementary Information
InChIKey: SUZCHODXFJYVKA-UHFFFAOYSA-N
Синонимы
4-methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acidRefChem:525233841-720-2515131-35-84-Methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzoic acid4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acidMFCD09261433Benzoic acid, 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-Carboxy-2-methylphenylboronic Acid Pinacol Ester3-BORONO-4-METHYLBENZOIC ACID PINACOL ESTERSCHEMBL3970415-CARBOXY-2-METHYLPHENYLBORONIC ACID, PINACOL ESTERDTXSID20582075SUZCHODXFJYVKA-UHFFFAOYSA-NSBB1025104-Methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzoicacidAKOS015842276CS-W006046NCGC00662661-01DS-10595SY104298DB-071364EN300-378264F046253(5-Carboxy-2-methyl)phenyl-4-boronic acid pinacol esterZ12589268704-methyl-3-(4,4,5,5-tetramethyl(1,3,2-dioxaborolan-2-yl))benzoic acid4-Methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzoic acid4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxa borolan-2-yl) benzoic acid4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxa borolan-2-yl)benzoic acid
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