| CAS Number | 1260671-33-7 |
| Catalog Number | AG00HITW(AGN-PC-0WNGNL) |
| Chemical Name | Methyl 3-chloro-5-formylpyridine-2-carboxylate |
| IUPAC Name | methyl 3-chloro-5-formylpyridine-2-carboxylate |
| InChI | InChI=1S/C8H6ClNO3/c1-13-8(12)7-6(9)2-5(4-11)3-10-7/h2-4H,1H3 |
| InChI Key | RGKVBFDNXXVBJQ-UHFFFAOYSA-N |
| MDL Number | MFCD18250783 |
| Molecular Formula | C8H6ClNO3 |
| Molecular Weight | 199.5911 |
| SMILES | COC(C1=C(Cl)C=C(C=O)C=N1)=O |
| Synonyms | Methyl 3-chloro-5-formylpicolinate,
1260671-33-7,
METHYL 3-CHLORO-5-FORMYLPYRIDINE-2-CARBOXYLATE,
3-Chloro-5-formyl-pyridine-2-carboxylic acid methyl ester,
KS-00000U8E,
MFCD18250783,
ZINC95763426,
AKOS030633049,
AB73650,
ACN-047812,
AK682486,
DS-20068,
CS-0059961,
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| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.59g/mol |
| Monoisotopic Mass | 199.004g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 56.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
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