| CAS Number | 1060813-04-8 |
| Catalog Number | AG0095WG(AGN-PC-0WAMBQ) |
| Chemical Name | 5-Bromo-2-isopropylpyrimidine |
| IUPAC Name | 5-bromo-2-propan-2-ylpyrimidine |
| InChI | InChI=1S/C7H9BrN2/c1-5(2)7-9-3-6(8)4-10-7/h3-5H,1-2H3 |
| InChI Key | AQLRZRAEKSQHCD-UHFFFAOYSA-N |
| MDL Number | MFCD12403882 |
| Molecular Formula | C7H9BrN2 |
| Molecular Weight | 201.0638 |
| SMILES | CC(C1=NC=C(Br)C=N1)C |
| Synonyms | 5-BROMO-2-ISOPROPYLPYRIMIDINE,
1060813-04-8,
5-BROMO-2-(PROPAN-2-YL)PYRIMIDINE,
AK173649,
SCHEMBL11089872,
5-bromo-2-propan-2-ylpyrimidine,
MFCD12403882,
ZINC40539409,
AKOS015941752,
CM10687,
DS-8522,
FCH1324659,
PB22629,
Pyrimidine,5-bromo-2-(1-methylethyl)-,
Pyrimidine, 5-bromo-2-(1-methylethyl)-,
CS-0043184,
KS-00000455,
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| Complexity | 97.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.067g/mol |
| Monoisotopic Mass | 199.995g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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