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Home > Boronic Acids > 955123-29-2
955123-29-2 | 4-pivalamidopyridin-3-ylboronic acid
CAS No: 955123-29-2 Catalog No: AG00IJ6B MDL No:MFCD16038214
Product Description
Catalog Number:
AG00IJ6B
Chemical Name:
4-pivalamidopyridin-3-ylboronic acid
CAS Number:
955123-29-2
Molecular Formula:
C10H15BN2O3
Molecular Weight:
222.0487
MDL Number:
MFCD16038214
IUPAC Name:
[4-(2,2-dimethylpropanoylamino)pyridin-3-yl]boronic acid
InChI:
InChI=1S/C10H15BN2O3/c1-10(2,3)9(14)13-8-4-5-12-6-7(8)11(15)16/h4-6,15-16H,1-3H3,(H,12,13,14)
InChI Key:
IJJZKUREBNYZHV-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)Nc1ccncc1B(O)O
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.118g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
222.051g/mol
Monoisotopic Mass:
222.118g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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