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Home > Boronic Acids > 1228181-39-2
1228181-39-2 | Boronic acid, B-[4-(4-pyridinylmethoxy)phenyl]-
CAS No: 1228181-39-2 Catalog No: AG000JJK MDL No:MFCD11183182
Product Description
Catalog Number:
AG000JJK
Chemical Name:
Boronic acid, B-[4-(4-pyridinylmethoxy)phenyl]-
CAS Number:
1228181-39-2
Molecular Formula:
C12H12BNO3
Molecular Weight:
229.0396
MDL Number:
MFCD11183182
IUPAC Name:
[4-(pyridin-4-ylmethoxy)phenyl]boronic acid
InChI:
InChI=1S/C12H12BNO3/c15-13(16)11-1-3-12(4-2-11)17-9-10-5-7-14-8-6-10/h1-8,15-16H,9H2
InChI Key:
QMPMMXXHNMMBCM-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)OCc1ccncc1)O
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.091g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.042g/mol
Monoisotopic Mass:
229.091g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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