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Home > Boronic Acids > 1003043-40-0
1003043-40-0 | Boronic acid, B-(6-chloro-5-methyl-3-pyridinyl)-
CAS No: 1003043-40-0 Catalog No: AG0001JI MDL No:MFCD03411564
Product Description
Catalog Number:
AG0001JI
Chemical Name:
Boronic acid, B-(6-chloro-5-methyl-3-pyridinyl)-
CAS Number:
1003043-40-0
Molecular Formula:
C6H7BClNO2
Molecular Weight:
171.3893
MDL Number:
MFCD03411564
IUPAC Name:
(6-chloro-5-methylpyridin-3-yl)boronic acid
InChI:
InChI=1S/C6H7BClNO2/c1-4-2-5(7(10)11)3-9-6(4)8/h2-3,10-11H,1H3
InChI Key:
WWOOKOBRTKSRLV-UHFFFAOYSA-N
SMILES:
OB(c1cnc(c(c1)C)Cl)O
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.026g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
171.387g/mol
Monoisotopic Mass:
171.026g/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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