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Home > Boronic Acids > 1003043-37-5

1003043-37-5

1003043-37-5 | Boronic acid, B-[2-chloro-6-(1-methylethyl)-3-pyridinyl]-

CAS No: 1003043-37-5 Catalog No: AG0001JJ MDL No:MFCD08274472

Product Description

Catalog Number:
AG0001JJ
Chemical Name:
Boronic acid, B-[2-chloro-6-(1-methylethyl)-3-pyridinyl]-
CAS Number:
1003043-37-5
Molecular Formula:
C8H11BClNO2
Molecular Weight:
199.4424
MDL Number:
MFCD08274472
IUPAC Name:
(2-chloro-6-propan-2-ylpyridin-3-yl)boronic acid
InChI:
InChI=1S/C8H11BClNO2/c1-5(2)7-4-3-6(9(12)13)8(10)11-7/h3-5,12-13H,1-2H3
InChI Key:
FBLHWIQSYHMHSK-UHFFFAOYSA-N
SMILES:
CC(c1ccc(c(n1)Cl)B(O)O)C

Properties

Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.057g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
199.441g/mol
Monoisotopic Mass:
199.057g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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