| CAS Number | 1193116-74-3 |
| Catalog Number | AG000IL8(AGN-PC-0WAN9E) |
| Chemical Name | Pyrimidine, 5-bromo-2-(bromomethyl)- |
| IUPAC Name | 5-bromo-2-(bromomethyl)pyrimidine |
| InChI | InChI=1S/C5H4Br2N2/c6-1-5-8-2-4(7)3-9-5/h2-3H,1H2 |
| InChI Key | BMXJFKLSEGBBSJ-UHFFFAOYSA-N |
| MDL Number | MFCD16606298 |
| Molecular Formula | C5H4Br2N2 |
| Molecular Weight | 251.9067 |
| SMILES | BrCC1=NC=C(Br)C=N1 |
| Synonyms | 5-bromo-2-(bromomethyl)pyrimidine,
1193116-74-3,
AK145130,
SCHEMBL508654,
BMXJFKLSEGBBSJ-UHFFFAOYSA-N,
KS-00000S2B,
MFCD16606298,
ZINC95080344,
AKOS022176831,
DS-7995,
FCH1343563,
Pyrimidine, 5-bromo-2-(bromomethyl)-,
DA-14710,
AJ-132066,
AX8283214,
ST2406090,
4CH-017799,
FT-0730140,
5-Bromo-2-(bromomethyl)pyrimidine, AldrichCPR,
|
| Complexity | 81 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.872g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.909g/mol |
| Monoisotopic Mass | 249.874g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H319
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Packing Group
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Precautionary statements
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P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number