CAS
1072951-84-8 Purity
98%
1072951-84-8 Purity
98%
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2-[(2-Isopropyl-5-methylphenoxy)methyl]phenylboronic acid
CAS
1072951-87-1
Catalog Number
ACM1072951871
Category
Other Products
Molecular Weight
284.2g/mol
Molecular Formula
C17H21BO3
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Specification
IUPAC Name
[2-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]boronic acid
Canonical SMILES
B(C1=CC=CC=C1COC2=C(C=CC(=C2)C)C(C)C)(O)O
InChI
InChI=1S/C17H21BO3/c1-12(2)15-9-8-13(3)10-17(15)21-11-14-6-4-5-7-16(14)18(19)20/h4-10,12,19-20H,11H2,1-3H3
InChI Key
JDYAGWNUTBEZCI-UHFFFAOYSA-N
Complexity
308
Covalently-Bonded Unit Count
1
Exact Mass
284.158375g/mol
Formal Charge
0
H-Bond Acceptor
3
H-Bond Donor
2
Heavy Atom Count
21
Monoisotopic Mass
284.158375g/mol
Rotatable Bond Count
5
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