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Home > Boronic Acids > 1217501-44-4
1217501-44-4 | Boronic acid, B-(2-butoxy-5-chloro-3-pyridinyl)-
CAS No: 1217501-44-4 Catalog No: AG0015T6 MDL No:MFCD13195665
Product Description
Catalog Number:
AG0015T6
Chemical Name:
Boronic acid, B-(2-butoxy-5-chloro-3-pyridinyl)-
CAS Number:
1217501-44-4
Molecular Formula:
C9H13BClNO3
Molecular Weight:
229.4684
MDL Number:
MFCD13195665
IUPAC Name:
(2-butoxy-5-chloropyridin-3-yl)boronic acid
InChI:
InChI=1S/C9H13BClNO3/c1-2-3-4-15-9-8(10(13)14)5-7(11)6-12-9/h5-6,13-14H,2-4H2,1H3
InChI Key:
IRMURESJJOBLDM-UHFFFAOYSA-N
SMILES:
CCCCOc1ncc(cc1B(O)O)Cl
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.068g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.467g/mol
Monoisotopic Mass:
229.068g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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