| CAS Number | 1624262-44-7 |
| Catalog Number | AG00HYRF(AGN-PC-0WANF6) |
| Chemical Name | 3-(5-Bromo-2-chloropyrimidin-4-yl)-1-(phenylsulfonyl)-1H-indole |
| IUPAC Name | 1-(benzenesulfonyl)-3-(5-bromo-2-chloropyrimidin-4-yl)indole |
| InChI | InChI=1S/C18H11BrClN3O2S/c19-15-10-21-18(20)22-17(15)14-11-23(16-9-5-4-8-13(14)16)26(24,25)12-6-2-1-3-7-12/h1-11H |
| InChI Key | ATOBJZOVMPIWCJ-UHFFFAOYSA-N |
| MDL Number | MFCD16658984 |
| Molecular Formula | C18H11BrClN3O2S |
| Molecular Weight | 448.7208 |
| SMILES | ClC1=NC=C(Br)C(=N1)C1=CN(C2=C1C=CC=C2)S(=O)(=O)C1=CC=CC=C1 |
| Synonyms | 3-(5-Bromo-2-chloropyrimidin-4-yl)-1-(phenylsulfonyl)-1H-indole,
1624262-44-7,
AK160858,
SCHEMBL20190392,
KS-00000SJU,
MFCD16658984,
ZINC98181669,
AKOS024464601,
DS-9798,
AJ-142776,
ST24041501,
1-(BENZENESULFONYL)-3-(5-BROMO-2-CHLOROPYRIMIDIN-4-YL)INDOLE,
|
| Complexity | 596 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 446.944g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 448.719g/mol |
| Monoisotopic Mass | 446.944g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 73.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.8 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H332-H335
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Packing Group
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Precautionary statements
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P261-P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number