Home Halogens 5,6-Dichloro-nicotinic acid tert-butyl ester

5,6-Dichloro-nicotinic acid tert-butyl ester

CAS No.:
1011476-27-9
Catalog Number:
AG00977V
Molecular Formula:
C10H11Cl2NO2
Molecular Weight:
248.1058
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00977V
Chemical Name:
5,6-Dichloro-nicotinic acid tert-butyl ester
CAS Number:
1011476-27-9
Molecular Formula:
C10H11Cl2NO2
Molecular Weight:
248.1058
MDL Number:
MFCD18897593
IUPAC Name:
tert-butyl 5,6-dichloropyridine-3-carboxylate
InChI:
InChI=1S/C10H11Cl2NO2/c1-10(2,3)15-9(14)6-4-7(11)8(12)13-5-6/h4-5H,1-3H3
InChI Key:
SQAFQWVWXRQGGK-UHFFFAOYSA-N
SMILES:
O=C(c1cnc(c(c1)Cl)Cl)OC(C)(C)C
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.017g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.103g/mol
Monoisotopic Mass:
247.017g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties