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Home > Boronic Acids > 1072952-39-6
1072952-39-6 | 2-CHLORO-3-FLUORO-5-PICOLINE-4-BORONIC ACID
CAS No: 1072952-39-6 Catalog No: AG008RUY MDL No:MFCD06659514
Product Description
Catalog Number:
AG008RUY
Chemical Name:
2-CHLORO-3-FLUORO-5-PICOLINE-4-BORONIC ACID
CAS Number:
1072952-39-6
Molecular Formula:
C6H6BClFNO2
Molecular Weight:
189.3797
MDL Number:
MFCD06659514
IUPAC Name:
(2-chloro-3-fluoro-5-methylpyridin-4-yl)boronic acid
InChI:
InChI=1S/C6H6BClFNO2/c1-3-2-10-6(8)5(9)4(3)7(11)12/h2,11-12H,1H3
InChI Key:
NJMMLPABMFWKGC-UHFFFAOYSA-N
SMILES:
OB(c1c(C)cnc(c1F)Cl)O
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.016g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
189.377g/mol
Monoisotopic Mass:
189.016g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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