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Home > Boronic Acids > 1311182-76-9
1311182-76-9 | Boronic acid, B-[4-[(4-methylphenyl)methoxy]phenyl]-
CAS No: 1311182-76-9 Catalog No: AG01FKZB MDL No:
Product Description
Catalog Number:
AG01FKZB
Chemical Name:
Boronic acid, B-[4-[(4-methylphenyl)methoxy]phenyl]-
CAS Number:
1311182-76-9
Molecular Formula:
C14H15BO3
Molecular Weight:
242.0781
IUPAC Name:
[4-[(4-methylphenyl)methoxy]phenyl]boronic acid
InChI:
InChI=1S/C14H15BO3/c1-11-2-4-12(5-3-11)10-18-14-8-6-13(7-9-14)15(16)17/h2-9,16-17H,10H2,1H3
InChI Key:
VDNJTMREUYRXMT-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)COc1ccc(cc1)B(O)O
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.081g/mol
Monoisotopic Mass:
242.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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