| CAS Number | 1352396-67-8 |
| Catalog Number | AG00HTZ3(AGN-PC-0WCKOR) |
| Chemical Name | Methyl 2-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate |
| IUPAC Name | methyl 2-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate |
| InChI | InChI=1S/C8H6ClN3O2/c1-14-7(13)5-3-10-6-4(5)2-11-8(9)12-6/h2-3H,1H3,(H,10,11,12) |
| InChI Key | PERSMPFYDSKYFP-UHFFFAOYSA-N |
| MDL Number | MFCD20923472 |
| Molecular Formula | C8H6ClN3O2 |
| Molecular Weight | 211.6051 |
| SMILES | O=C(C1=CNC2=NC(Cl)=NC=C21)OC |
| Synonyms | methyl 2-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate,
1352396-67-8,
2-Chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid methyl ester,
KS-000005RG,
MFCD20923472,
ZINC96035817,
FCH1613209,
SB14082,
AK171317,
AS-51526,
CS-0049169,
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| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.605g/mol |
| Monoisotopic Mass | 211.015g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H317
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Packing Group
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number