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219727-21-6 | ETHYL 2-CHLORO-4-IODONICOTINATE
CAS No: 219727-21-6 Catalog No: AG003Q3P MDL No:
Product Description
Catalog Number:
AG003Q3P
Chemical Name:
ETHYL 2-CHLORO-4-IODONICOTINATE
CAS Number:
219727-21-6
Molecular Formula:
C8H7ClINO2
Molecular Weight:
311.5041
IUPAC Name:
ethyl 2-chloro-4-iodopyridine-3-carboxylate
InChI:
InChI=1S/C8H7ClINO2/c1-2-13-8(12)6-5(10)3-4-11-7(6)9/h3-4H,2H2,1H3
InChI Key:
YOJVEUAQIMBZSL-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(I)ccnc1Cl
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.921g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.503g/mol
Monoisotopic Mass:
310.921g/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
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