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1008138-66-6

1008138-66-6 | Pyridine, 2-methyl-5-nitro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

CAS No: 1008138-66-6 Catalog No: AG0002XK MDL No:MFCD13195046

Product Description

Catalog Number:
AG0002XK
Chemical Name:
Pyridine, 2-methyl-5-nitro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1008138-66-6
Molecular Formula:
C12H17BN2O4
Molecular Weight:
264.0854
MDL Number:
MFCD13195046
IUPAC Name:
2-methyl-5-nitro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
InChI:
InChI=1S/C12H17BN2O4/c1-8-10(6-9(7-14-8)15(16)17)13-18-11(2,3)12(4,5)19-13/h6-7H,1-5H3
InChI Key:
IYYWRANRHLVQPQ-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cc(cnc1C)[N+](=O)[O-]

Properties

Complexity:
353  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.128g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.088g/mol
Monoisotopic Mass:
264.128g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
77.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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