5-Bromo-4-chloro-6-methylpyrimidine - CAS 3438-55-9
Catalog: |
BB022107 |
Product Name: |
5-Bromo-4-chloro-6-methylpyrimidine |
CAS: |
3438-55-9 |
Synonyms: |
5-bromo-4-chloro-6-methylpyrimidine; 5-bromo-4-chloro-6-methylpyrimidine |
IUPAC Name: | 5-bromo-4-chloro-6-methylpyrimidine |
Description: | 5-Bromo-4-chloro-6-methylpyrimidine (CAS# 3438-55-9) is a useful research chemical. |
Molecular Weight: | 207.46 |
Molecular Formula: | C5H4BrClN2 |
Canonical SMILES: | CC1=C(C(=NC=N1)Cl)Br |
InChI: | InChI=1S/C5H4BrClN2/c1-3-4(6)5(7)9-2-8-3/h2H,1H3 |
InChI Key: | COSNNPGRFRGVPC-UHFFFAOYSA-N |
Boiling Point: | 271.2 ℃ at 760 mmHg |
Density: | 1.724 g/cm3 |
MDL: | MFCD00234032 |
LogP: | 2.20090 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2017279014-A1 | Substituted carbonucleoside derivatives useful as anticancer agents | 20160606 |
AU-2017279014-B2 | Substituted carbonucleoside derivatives useful as anticancer agents | 20160606 |
AU-2019264640-A1 | Substituted carbonucleoside derivatives useful as anticancer agents | 20160606 |
CA-2969295-A1 | Substituted carbonucleoside derivatives, and use thereof as a prmt5 inhibitor | 20160606 |
EP-3464249-A1 | Substituted carbonucleoside derivatives useful as anticancer agents | 20160606 |
Complexity: | 101 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.92464 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.92464 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 25.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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