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Home > Boronic Acids > 957060-96-7
957060-96-7 | (2-Chloro-5-cyanopyridin-3-yl)boronic acid
CAS No: 957060-96-7 Catalog No: AG003BMR MDL No:MFCD09027243
Product Description
Catalog Number:
AG003BMR
Chemical Name:
(2-Chloro-5-cyanopyridin-3-yl)boronic acid
CAS Number:
957060-96-7
Molecular Formula:
C6H4BClN2O2
Molecular Weight:
182.3722
MDL Number:
MFCD09027243
IUPAC Name:
(2-chloro-5-cyanopyridin-3-yl)boronic acid
InChI:
InChI=1S/C6H4BClN2O2/c8-6-5(7(11)12)1-4(2-9)3-10-6/h1,3,11-12H
InChI Key:
JOXTUWQJEBJZEK-UHFFFAOYSA-N
SMILES:
N#Cc1cnc(c(c1)B(O)O)Cl
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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