| CAS Number | 244219-94-1 |
| Catalog Number | AG00CGLB(AGN-PC-0WRA05) |
| Chemical Name | 1-Chloro-7-nitroisoquinoline |
| IUPAC Name | 1-chloro-7-nitroisoquinoline |
| InChI | InChI=1S/C9H5ClN2O2/c10-9-8-5-7(12(13)14)2-1-6(8)3-4-11-9/h1-5H |
| InChI Key | HGIRABLPBGPANF-UHFFFAOYSA-N |
| MDL Number | MFCD22096538 |
| Molecular Formula | C9H5ClN2O2 |
| Molecular Weight | 208.6012 |
| SMILES | O=[N+](C1=CC2=C(C=C1)C=CN=C2Cl)[O-] |
| Synonyms | 1-chloro-7-nitroisoquinoline,
244219-94-1,
1-chloro-7-nitro-isoquinoline,
1-chloro-7nitroisoquinoline,
SCHEMBL5988485,
HGIRABLPBGPANF-UHFFFAOYSA-N,
9034AF,
MFCD22096538,
ZINC82766587,
AKOS022879580,
AS-47707,
FT-0744609,
C9H5ClN2O2,
ACN-038432,
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| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.601g/mol |
| Monoisotopic Mass | 208.004g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 58.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number