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1217340-94-7 | Boronic acid, B-[6-[(methylamino)carbonyl]-3-pyridinyl]-
CAS No: 1217340-94-7 Catalog No: AG0015N7 MDL No:MFCD08458474
Product Description
Catalog Number:
AG0015N7
Chemical Name:
Boronic acid, B-[6-[(methylamino)carbonyl]-3-pyridinyl]-
CAS Number:
1217340-94-7
Molecular Formula:
C7H9BN2O3
Molecular Weight:
179.9690
MDL Number:
MFCD08458474
IUPAC Name:
[6-(methylcarbamoyl)pyridin-3-yl]boronic acid
InChI:
InChI=1S/C7H9BN2O3/c1-9-7(11)6-3-2-5(4-10-6)8(12)13/h2-4,12-13H,1H3,(H,9,11)
InChI Key:
MWDGTPAHKOWCSY-UHFFFAOYSA-N
SMILES:
CNC(=O)c1ccc(cn1)B(O)O
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.071g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
179.97g/mol
Monoisotopic Mass:
180.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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