| CAS Number | 331647-04-2 |
| Catalog Number | AG00I6F4(AGN-PC-0WANJW) |
| Chemical Name | 8-Bromo-2-chloroquinazolin-4(3H)-one |
| IUPAC Name | 8-bromo-2-chloro-3H-quinazolin-4-one |
| InChI | InChI=1S/C8H4BrClN2O/c9-5-3-1-2-4-6(5)11-8(10)12-7(4)13/h1-3H,(H,11,12,13) |
| InChI Key | JSFQZYFLOYNXQM-UHFFFAOYSA-N |
| MDL Number | MFCD11858287 |
| Molecular Formula | C8H4BrClN2O |
| Molecular Weight | 259.4872 |
| SMILES | O=C1NC(Cl)=NC2=C1C=CC=C2Br |
| Synonyms | 8-Bromo-2-chloroquinazolin-4(3H)-one,
331647-04-2,
8-bromo-2-chloroquinazolin-4-ol,
2-Chloro-8-bromoquinazolin-4(3H)-one,
8-bromo-2-chloro-1H-quinazolin-4-one,
AK167594,
SCHEMBL5753222,
SCHEMBL15228758,
KS-00000SWU,
JSFQZYFLOYNXQM-UHFFFAOYSA-N,
MFCD11858287,
ZINC26899520,
AKOS025287364,
DS-9544,
4(3H)-Quinazolinone, 8-bromo-2-chloro-,
AX8277284,
CS-0044998,
C18972,
N/A,
|
| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.92g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.487g/mol |
| Monoisotopic Mass | 257.92g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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