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Home > Boronic Acids > 1145786-45-3
1145786-45-3 | Boronic acid, B-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]-
CAS No: 1145786-45-3 Catalog No: AG000EQV MDL No:MFCD19053227
Product Description
Catalog Number:
AG000EQV
Chemical Name:
Boronic acid, B-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]-
CAS Number:
1145786-45-3
Molecular Formula:
C11H13BN2O3
Molecular Weight:
232.0435
MDL Number:
MFCD19053227
IUPAC Name:
[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]boronic acid
InChI:
InChI=1S/C11H13BN2O3/c1-8-6-14(7-13-8)10-4-3-9(12(15)16)5-11(10)17-2/h3-7,15-16H,1-2H3
InChI Key:
OMGGGTOQGOMAKG-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1n1cnc(c1)C)B(O)O
Properties
Complexity:
255
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:
3
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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