| CAS Number | 80484-00-0 |
| Catalog Number | AG00GJDZ(AGN-PC-00K555) |
| Chemical Name | 6-Chloro-1-methyl-3,4-dihydroquinoxalin-2(1H)-one |
| IUPAC Name | 6-chloro-1-methyl-3,4-dihydroquinoxalin-2-one |
| InChI | InChI=1S/C9H9ClN2O/c1-12-8-3-2-6(10)4-7(8)11-5-9(12)13/h2-4,11H,5H2,1H3 |
| InChI Key | KCCDAWOBCMZDBX-UHFFFAOYSA-N |
| MDL Number | MFCD20678964 |
| Molecular Formula | C9H9ClN2O |
| Molecular Weight | 196.6336 |
| SMILES | O=C1N(C)C2=C(C=C(Cl)C=C2)NC1 |
| Synonyms | 6-Chloro-1-methyl-3,4-dihydroquinoxalin-2(1H)-one,
80484-00-0,
AK138292,
SCHEMBL11120910,
DTXSID40513285,
KS-00000RR5,
MFCD20678964,
ZINC76890391,
AKOS022173953,
DS-5987,
FCH1260577,
AJ-122212,
ST24045243,
6-CHLORO-1-METHYL-3,4-DIHYDROQUINOXALIN-2-ONE,
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| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.634g/mol |
| Monoisotopic Mass | 196.04g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number