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Home > Boronic Acids > 1072946-22-5
1072946-22-5 | 6-(4-METHOXYBENZYLCARBAMOYL)PYRIDINE-3-BORONIC ACID
CAS No: 1072946-22-5 Catalog No: AG008523 MDL No:MFCD10699628
Product Description
Catalog Number:
AG008523
Chemical Name:
6-(4-METHOXYBENZYLCARBAMOYL)PYRIDINE-3-BORONIC ACID
CAS Number:
1072946-22-5
Molecular Formula:
C14H15BN2O4
Molecular Weight:
286.0909
MDL Number:
MFCD10699628
IUPAC Name:
[6-[(4-methoxyphenyl)methylcarbamoyl]pyridin-3-yl]boronic acid
InChI:
InChI=1S/C14H15BN2O4/c1-21-12-5-2-10(3-6-12)8-17-14(18)13-7-4-11(9-16-13)15(19)20/h2-7,9,19-20H,8H2,1H3,(H,17,18)
InChI Key:
JNXUVKTWNOJCPO-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CNC(=O)c1ccc(cn1)B(O)O
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.112g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
286.094g/mol
Monoisotopic Mass:
286.112g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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