| CAS Number | 884495-40-3 |
| Catalog Number | AG00346R(AGN-PC-078JOT) |
| Chemical Name | 5-Amino-2-chloronicotinic acid ethyl ester |
| IUPAC Name | ethyl 5-amino-2-chloropyridine-3-carboxylate |
| InChI | InChI=1S/C8H9ClN2O2/c1-2-13-8(12)6-3-5(10)4-11-7(6)9/h3-4H,2,10H2,1H3 |
| InChI Key | YEZMAGYEPBNXPV-UHFFFAOYSA-N |
| MDL Number | MFCD07368900 |
| Molecular Formula | C8H9ClN2O2 |
| Molecular Weight | 200.6223 |
| SMILES | C(C)OC(C1=C(N=CC(=C1)N)Cl)=O |
| Synonyms | 884495-40-3,
5-AMINO-2-CHLORONICOTINIC ACID ETHYL ESTER,
ethyl 5-amino-2-chloropyridine-3-carboxylate,
Ethyl 5-amino-2-chloronicotinate,
5-AMINO-2-CHLORO-NICOTINIC ACID ETHYL ESTER,
ACMC-20e9pn,
SCHEMBL16702899,
CTK5F9853,
DTXSID00660562,
KS-000000YP,
ZINC8698236,
MFCD07368900,
AKOS015843460,
RP25812,
RTX-012099,
I02-2368,
J-521098,
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| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.622g/mol |
| Monoisotopic Mass | 200.035g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 65.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number