| CAS Number | 802559-38-2 |
| Catalog Number | AG00G719(AGN-PC-0WAN1Z) |
| Chemical Name | 5-(Bromomethyl)-2-methylpyrimidine |
| IUPAC Name | 5-(bromomethyl)-2-methylpyrimidine |
| InChI | InChI=1S/C6H7BrN2/c1-5-8-3-6(2-7)4-9-5/h3-4H,2H2,1H3 |
| InChI Key | RKNJOWSXQZGAMW-UHFFFAOYSA-N |
| MDL Number | MFCD20624831 |
| Molecular Formula | C6H7BrN2 |
| Molecular Weight | 187.0372 |
| SMILES | CC1=NC=C(CBr)C=N1 |
| Synonyms | 5-(Bromomethyl)-2-methylpyrimidine,
802559-38-2,
AK134681,
SCHEMBL18211892,
KS-00000RKY,
DTXSID80856188,
2514AC,
MFCD20624831,
ZINC95093319,
AKOS016842669,
FCH1203890,
CJ-22669,
AJ-132414,
AX8256449,
ST2411671,
4CH-016275,
A1-03132,
C6H7BrN2,
956477-67-1,
|
| Complexity | 79.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.04g/mol |
| Monoisotopic Mass | 185.979g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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