5-(Chloromethyl)pyrimidine Hydrochloride - CAS 1337879-54-5
Catalog: |
BB007810 |
Product Name: |
5-(Chloromethyl)pyrimidine Hydrochloride |
CAS: |
1337879-54-5 |
Synonyms: |
5-(chloromethyl)pyrimidine;hydrochloride; 5-(chloromethyl)pyrimidine;hydrochloride |
IUPAC Name: | 5-(chloromethyl)pyrimidine;hydrochloride |
Description: | 5-(Chloromethyl)pyrimidine Hydrochloride can be used as PAD inhibitors to treat various disorders. |
Molecular Weight: | 165.02 |
Molecular Formula: | C5H6Cl2N2 |
Canonical SMILES: | C1=C(C=NC=N1)CCl.Cl |
InChI: | InChI=1S/C5H5ClN2.ClH/c6-1-5-2-7-4-8-3-5;/h2-4H,1H2;1H |
InChI Key: | QXJVZEHGCCFJPZ-UHFFFAOYSA-N |
MDL: | MFCD19982294 |
LogP: | 2.01740 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020030503-A1 | Pesticidally-active bicyclic heteroaromatic compounds | 20180807 |
TW-202021963-A | Pesticidally-active bicyclic heteroaromatic compounds | 20180807 |
CN-112585137-A | Pesticidally active bicyclic heteroaromatic compounds | 20180807 |
EP-3833663-A1 | Pesticidally-active bicyclic heteroaromatic compounds | 20180807 |
US-2021238176-A1 | Pesticidally-active bicyclic heteroaromatic compounds | 20180807 |
Complexity: | 61.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.9908036 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.9908036 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 25.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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