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Home > Boronic Acids > 2096330-85-5
2096330-85-5 | 4-Ethylpyridine-3-boronicAcidPinacolEster
CAS No: 2096330-85-5 Catalog No: AG01DFB4 MDL No:MFCD13182290
Product Description
Catalog Number:
AG01DFB4
Chemical Name:
4-Ethylpyridine-3-boronicAcidPinacolEster
CAS Number:
2096330-85-5
Molecular Formula:
C13H20BNO2
Molecular Weight:
233.1144
MDL Number:
MFCD13182290
IUPAC Name:
4-ethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
InChI:
InChI=1S/C13H20BNO2/c1-6-10-7-8-15-9-11(10)14-16-12(2,3)13(4,5)17-14/h7-9H,6H2,1-5H3
InChI Key:
UMTCATCTKZVZRN-UHFFFAOYSA-N
SMILES:
CCc1ccncc1B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.159g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.118g/mol
Monoisotopic Mass:
233.159g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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