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Home > Boronic Acids > 878194-88-8
878194-88-8 | (2-Chloro-3-cyanopyridin-4-yl)boronic acid
CAS No: 878194-88-8 Catalog No: AG003BML MDL No:MFCD09037478
Product Description
Catalog Number:
AG003BML
Chemical Name:
(2-Chloro-3-cyanopyridin-4-yl)boronic acid
CAS Number:
878194-88-8
Molecular Formula:
C6H4BClN2O2
Molecular Weight:
182.3722
MDL Number:
MFCD09037478
IUPAC Name:
(2-chloro-3-cyanopyridin-4-yl)boronic acid
InChI:
InChI=1S/C6H4BClN2O2/c8-6-4(3-9)5(7(11)12)1-2-10-6/h1-2,11-12H
InChI Key:
MSPLECXGTZJQHF-UHFFFAOYSA-N
SMILES:
N#Cc1c(Cl)nccc1B(O)O
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.005g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
182.37g/mol
Monoisotopic Mass:
182.005g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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