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Home > Boronic Acids > 850568-17-1
850568-17-1 | (4-(Methoxycarbamoyl);phenyl);boronic acid
CAS No: 850568-17-1 Catalog No: AG004PC3 MDL No:MFCD04115670
Product Description
Catalog Number:
AG004PC3
Chemical Name:
(4-(Methoxycarbamoyl);phenyl);boronic acid
CAS Number:
850568-17-1
Molecular Formula:
C8H10BNO4
Molecular Weight:
194.9803
MDL Number:
MFCD04115670
IUPAC Name:
[4-(methoxycarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C8H10BNO4/c1-14-10-8(11)6-2-4-7(5-3-6)9(12)13/h2-5,12-13H,1H3,(H,10,11)
InChI Key:
MZZWCLBDQROHHS-UHFFFAOYSA-N
SMILES:
CONC(=O)c1ccc(cc1)B(O)O
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.07g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
194.981g/mol
Monoisotopic Mass:
195.07g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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