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Home > Boronic Acids > 1310404-49-9
1310404-49-9 | 2-BROMO-4-METHYLPYRIDINE-3-BORONIC ACID PINACOL ESTER
CAS No: 1310404-49-9 Catalog No: AG009BT1 MDL No:MFCD08063087
Product Description
Catalog Number:
AG009BT1
Chemical Name:
2-BROMO-4-METHYLPYRIDINE-3-BORONIC ACID PINACOL ESTER
CAS Number:
1310404-49-9
Molecular Formula:
C12H17BBrNO2
Molecular Weight:
297.9839
MDL Number:
MFCD08063087
IUPAC Name:
2-bromo-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
InChI:
InChI=1S/C12H17BBrNO2/c1-8-6-7-15-10(14)9(8)13-16-11(2,3)12(4,5)17-13/h6-7H,1-5H3
InChI Key:
QIHBUAJAHQDUJP-UHFFFAOYSA-N
SMILES:
Cc1ccnc(c1B1OC(C(O1)(C)C)(C)C)Br
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.054g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.987g/mol
Monoisotopic Mass:
297.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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