Home Halogens tert-Butyl 2-bromonicotinate

tert-Butyl 2-bromonicotinate

CAS No.:
168629-64-9
Catalog Number:
AG001Y7J
Molecular Formula:
C10H12BrNO2
Molecular Weight:
258.1118
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$307
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Product Description
Catalog Number:
AG001Y7J
Chemical Name:
tert-Butyl 2-bromonicotinate
CAS Number:
168629-64-9
Molecular Formula:
C10H12BrNO2
Molecular Weight:
258.1118
MDL Number:
MFCD07367920
IUPAC Name:
tert-butyl 2-bromopyridine-3-carboxylate
InChI:
InChI=1S/C10H12BrNO2/c1-10(2,3)14-9(13)7-5-4-6-12-8(7)11/h4-6H,1-3H3
InChI Key:
OUJNDKUAPNBGCN-UHFFFAOYSA-N
SMILES:
O=C(c1cccnc1Br)OC(C)(C)C
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.005g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.115g/mol
Monoisotopic Mass:
257.005g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties