| CAS Number | 938465-52-2 |
| Catalog Number | AG00IHVG |
| Chemical Name | 1-Chloro-5H-pyrido[4,3-b]indole-4-carboxamide |
| IUPAC Name | 1-chloro-5H-pyrido[4,3-b]indole-4-carboxamide |
| InChI | InChI=1S/C12H8ClN3O/c13-11-9-6-3-1-2-4-8(6)16-10(9)7(5-15-11)12(14)17/h1-5,16H,(H2,14,17) |
| InChI Key | VQNXPJGYVJPVIX-UHFFFAOYSA-N |
| MDL Number | MFCD18803692 |
| Molecular Formula | C12H8ClN3O |
| Molecular Weight | 245.6644 |
| SMILES | O=C(C1=CN=C(Cl)C2=C1NC3=C2C=CC=C3)N |
| Synonyms | 1-chloro-5H-pyrido[4,3-b]indole-4-carboxamide,
938465-52-2,
SCHEMBL3607833,
VQNXPJGYVJPVIX-UHFFFAOYSA-N,
KS-00000U9J,
MFCD18803692,
AKOS030632055,
ZINC201410774,
AK684392,
DS-20097,
CS-0062140,
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| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.666g/mol |
| Monoisotopic Mass | 245.036g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
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