CAS: 473596-87-1
이름: methyl 3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
SMILES:
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)C(=O)OC)CMolecular Processing
Molecular formula
C15H21BO4
Molecular weight
276.14
Exact mass
276.1533
XLogP
2.08
TPSA
44.76
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
20
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
0.533
Molar refractivity
78.23
Supplementary Information
InChIKey: RDBWYSWPXDSHOE-UHFFFAOYSA-N
동의어
2-Methyl-4-methoxycarbonylphenylboronic acid, pinacol esterRefChem:475572801-040-9473596-87-1Methyl 3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate4-(Methoxycarbonyl)-2-methylphenylboronic acid pinacol esterMFCD08669595(4-(METHOXYCARBONYL)-2-METHYLPHENYL)BORONIC ACID PINACOL ESTERSCHEMBL2034504-(Methoxycarbonyl)-2-methylphenylboronicacidpinacolesterSCHEMBL30963922DTXSID90454770RDBWYSWPXDSHOE-UHFFFAOYSA-NAKOS016007672MB06451AS-39538DA-05631SY075773CS-004684610.14272/RDBWYSWPXDSHOE-UHFFFAOYSA-NEN300-31446810.14272/RDBWYSWPXDSHOE-UHFFFAOYSA-N.1doi:10.14272/RDBWYSWPXDSHOE-UHFFFAOYSA-NF233540doi:10.14272/RDBWYSWPXDSHOE-UHFFFAOYSA-N.1Z2037320387METHYL 3-METHYL-4-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE3-methyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzoic acid methyl ester
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