| CAS Number | 915948-92-4 |
| Catalog Number | AG00IGS5(AGN-PC-0WCWRW) |
| Chemical Name | 5-Bromo-N,N-dimethylpyrimidine-2-carboxamide |
| IUPAC Name | 5-bromo-N,N-dimethylpyrimidine-2-carboxamide |
| InChI | InChI=1S/C7H8BrN3O/c1-11(2)7(12)6-9-3-5(8)4-10-6/h3-4H,1-2H3 |
| InChI Key | VLWQDZYFUMYZMT-UHFFFAOYSA-N |
| MDL Number | MFCD26395448 |
| Molecular Formula | C7H8BrN3O |
| Molecular Weight | 230.0619 |
| SMILES | CN(C)C(=O)C1=NC=C(Br)C=N1 |
| Synonyms | 5-bromo-N,N-dimethylpyrimidine-2-carboxamide,
915948-92-4,
SCHEMBL644275,
VLWQDZYFUMYZMT-UHFFFAOYSA-N,
MFCD26395448,
AKOS030628382,
ZINC114303725,
AS-55062,
2-Pyrimidinecarboxamide, 5-bromo-N,N-dimethyl-,
5-Bromo-pyrimidine-2-carboxylic acid dimethylamide,
A1-03850,
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.065g/mol |
| Monoisotopic Mass | 228.985g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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