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Home > Boronic Acids > 874460-01-2
874460-01-2 | (3-(Benzyl(methyl);carbamoyl);phenyl);boronic acid
CAS No: 874460-01-2 Catalog No: AG004KCB MDL No:MFCD09027200
Product Description
Catalog Number:
AG004KCB
Chemical Name:
(3-(Benzyl(methyl);carbamoyl);phenyl);boronic acid
CAS Number:
874460-01-2
Molecular Formula:
C15H16BNO3
Molecular Weight:
269.1034
MDL Number:
MFCD09027200
IUPAC Name:
[3-[benzyl(methyl)carbamoyl]phenyl]boronic acid
InChI:
InChI=1S/C15H16BNO3/c1-17(11-12-6-3-2-4-7-12)15(18)13-8-5-9-14(10-13)16(19)20/h2-10,19-20H,11H2,1H3
InChI Key:
SZEATPHXIPBXGU-UHFFFAOYSA-N
SMILES:
CN(C(=O)c1cccc(c1)B(O)O)Cc1ccccc1
Properties
Complexity:
318
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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