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Home > Boronic Acids > 944794-82-5
944794-82-5 | 6-(ethylcarbamoyl)pyridin-3-ylboronic acid
CAS No: 944794-82-5 Catalog No: AG00II7C MDL No:MFCD12964574
Product Description
Catalog Number:
AG00II7C
Chemical Name:
6-(ethylcarbamoyl)pyridin-3-ylboronic acid
CAS Number:
944794-82-5
Molecular Formula:
C8H11BN2O3
Molecular Weight:
193.9955
MDL Number:
MFCD12964574
IUPAC Name:
[6-(ethylcarbamoyl)pyridin-3-yl]boronic acid
InChI:
InChI=1S/C8H11BN2O3/c1-2-10-8(12)7-4-3-6(5-11-7)9(13)14/h3-5,13-14H,2H2,1H3,(H,10,12)
InChI Key:
KPFXJXXKUBFCRT-UHFFFAOYSA-N
SMILES:
CCNC(=O)c1ccc(cn1)B(O)O
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.086g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
193.997g/mol
Monoisotopic Mass:
194.086g/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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