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Home > Boronic Acids > 874219-49-5
874219-49-5 | (4-(Benzyl(methyl);carbamoyl);phenyl);boronic acid
CAS No: 874219-49-5 Catalog No: AG004G72 MDL No:MFCD08235067
Product Description
Catalog Number:
AG004G72
Chemical Name:
(4-(Benzyl(methyl);carbamoyl);phenyl);boronic acid
CAS Number:
874219-49-5
Molecular Formula:
C15H16BNO3
Molecular Weight:
269.1034
MDL Number:
MFCD08235067
IUPAC Name:
[4-[benzyl(methyl)carbamoyl]phenyl]boronic acid
InChI:
InChI=1S/C15H16BNO3/c1-17(11-12-5-3-2-4-6-12)15(18)13-7-9-14(10-8-13)16(19)20/h2-10,19-20H,11H2,1H3
InChI Key:
LPRWGAHHEXCVJU-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)C(=O)N(Cc1ccccc1)C)O
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.122g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.107g/mol
Monoisotopic Mass:
269.122g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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