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Home > Boronic Acids > 913835-99-1
913835-99-1 | (5-(tert-Butylcarbamoyl);pyridin-3-yl);boronic acid
CAS No: 913835-99-1 Catalog No: AG006BHN MDL No:MFCD08689533
Product Description
Catalog Number:
AG006BHN
Chemical Name:
(5-(tert-Butylcarbamoyl);pyridin-3-yl);boronic acid
CAS Number:
913835-99-1
Molecular Formula:
C10H15BN2O3
Molecular Weight:
222.0487
MDL Number:
MFCD08689533
IUPAC Name:
[5-(tert-butylcarbamoyl)pyridin-3-yl]boronic acid
InChI:
InChI=1S/C10H15BN2O3/c1-10(2,3)13-9(14)7-4-8(11(15)16)6-12-5-7/h4-6,15-16H,1-3H3,(H,13,14)
InChI Key:
FOJHBAIYLMKAIB-UHFFFAOYSA-N
SMILES:
O=C(c1cncc(c1)B(O)O)NC(C)(C)C
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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