| CAS Number | 1009034-66-5 |
| Catalog Number | AG000353(AGN-PC-0WD4KF) |
| Chemical Name | 5,7-Difluoroquinazolin-4-amine |
| IUPAC Name | 5,7-difluoroquinazolin-4-amine |
| InChI | InChI=1S/C8H5F2N3/c9-4-1-5(10)7-6(2-4)12-3-13-8(7)11/h1-3H,(H2,11,12,13) |
| InChI Key | NYFDGPMNPMSMLC-UHFFFAOYSA-N |
| MDL Number | MFCD13178666 |
| Molecular Formula | C8H5F2N3 |
| Molecular Weight | 181.1422 |
| SMILES | NC1=C2C(C=C(C=C2F)F)=NC=N1 |
| Synonyms | 5,7-Difluoroquinazolin-4-amine,
1009034-66-5,
SCHEMBL2778073,
NYFDGPMNPMSMLC-UHFFFAOYSA-N,
4-Quinazolinamine, 5,7-difluoro-,
5,7-Difluoro-quinazolin-4-ylamine,
ZINC95930567,
AKOS022178476,
AJ-136442,
Z2787259112,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.146g/mol |
| Monoisotopic Mass | 181.045g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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