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Home > Boronic Acids > 32915-77-8
32915-77-8 | [3-(formyloxy)phenyl]boronic acid
CAS No: 32915-77-8 Catalog No: AG007IEW MDL No:
Product Description
Catalog Number:
AG007IEW
Chemical Name:
[3-(formyloxy)phenyl]boronic acid
CAS Number:
32915-77-8
Molecular Formula:
C7H7BO4
Molecular Weight:
165.9391
IUPAC Name:
4-[2-(6-chloro-3-ethyl-2-methylbenzimidazol-3-ium-1-yl)ethyl]morpholine;chloride;hydrochloride
InChI:
InChI=1S/C16H23ClN3O.2ClH/c1-3-19-13(2)20(7-6-18-8-10-21-11-9-18)16-12-14(17)4-5-15(16)19;;/h4-5,12H,3,6-11H2,1-2H3;2*1H/q+1;;/p-1
InChI Key:
JUEFYBNIGJLDAX-UHFFFAOYSA-M
SMILES:
O=COc1cccc(c1)B(O)O
EC Number:
251-290-2
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.098g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
380.738g/mol
Monoisotopic Mass:
379.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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