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Home > Boronic Acids > 957034-56-9
957034-56-9 | (4-(2-(1H-Imidazol-1-yl);ethoxy);phenyl);boronic acid
CAS No: 957034-56-9 Catalog No: AG00H8L2 MDL No:MFCD09475808
Product Description
Catalog Number:
AG00H8L2
Chemical Name:
(4-(2-(1H-Imidazol-1-yl);ethoxy);phenyl);boronic acid
CAS Number:
957034-56-9
Molecular Formula:
C11H13BN2O3
Molecular Weight:
232.0435
MDL Number:
MFCD09475808
IUPAC Name:
[4-(2-imidazol-1-ylethoxy)phenyl]boronic acid
InChI:
InChI=1S/C11H13BN2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9,15-16H,7-8H2
InChI Key:
YRNCSPFXUDNRCS-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)OCCn1cncc1)O
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.102g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.046g/mol
Monoisotopic Mass:
232.102g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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