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1257554-65-6

1257554-65-6 | 3-(Difluoromethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

CAS No: 1257554-65-6 Catalog No: AG00JSLE MDL No:MFCD21607949

Product Description

Catalog Number:
AG00JSLE
Chemical Name:
3-(Difluoromethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CAS Number:
1257554-65-6
Molecular Formula:
C12H16BF2NO3
Molecular Weight:
271.0681
MDL Number:
MFCD21607949
IUPAC Name:
3-(difluoromethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
InChI:
InChI=1S/C12H16BF2NO3/c1-11(2)12(3,4)19-13(18-11)8-5-9(7-16-6-8)17-10(14)15/h5-7,10H,1-4H3
InChI Key:
JVEWZNQRBSDHGG-UHFFFAOYSA-N
SMILES:
FC(Oc1cncc(c1)B1OC(C(O1)(C)C)(C)C)F

Properties

Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.119g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.071g/mol
Monoisotopic Mass:
271.119g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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