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Home > Boronic Acids > 874460-08-9
874460-08-9 | (4-((4-Methoxybenzyl)carbamoyl)phenyl)boronic acid
CAS No: 874460-08-9 Catalog No: AG004HHX MDL No:MFCD09972091
Product Description
Catalog Number:
AG004HHX
Chemical Name:
(4-((4-Methoxybenzyl)carbamoyl)phenyl)boronic acid
CAS Number:
874460-08-9
Molecular Formula:
C15H16BNO4
Molecular Weight:
285.1028
MDL Number:
MFCD09972091
IUPAC Name:
[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]boronic acid
InChI:
InChI=1S/C15H16BNO4/c1-21-14-8-2-11(3-9-14)10-17-15(18)12-4-6-13(7-5-12)16(19)20/h2-9,19-20H,10H2,1H3,(H,17,18)
InChI Key:
RJZAHNYXFDPDHL-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CNC(=O)c1ccc(cc1)B(O)O
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.117g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
285.106g/mol
Monoisotopic Mass:
285.117g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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