2-(chloromethyl)-1,3-benzoxazole - CAS 41014-43-1
Catalog: |
BB024750 |
Product Name: |
2-(chloromethyl)-1,3-benzoxazole |
CAS: |
41014-43-1 |
Synonyms: |
2-(chloromethyl)-1,3-benzoxazole; 2-(chloromethyl)-1,3-benzoxazole |
IUPAC Name: | 2-(chloromethyl)-1,3-benzoxazole |
Description: | 2-(chloromethyl)-1,3-benzoxazole (CAS# 41014-43-1) is a useful research chemical. |
Molecular Weight: | 167.59 |
Molecular Formula: | C8H6ClNO |
Canonical SMILES: | C1=CC=C2C(=C1)N=C(O2)CCl |
InChI: | InChI=1S/C8H6ClNO/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5H2 |
InChI Key: | ANRDUCQCZKLSGF-UHFFFAOYSA-N |
Boiling Point: | 238.7 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.316 g/cm3 |
Appearance: | Solid |
MDL: | MFCD05664964 |
LogP: | 2.56660 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-109776583-A | A kind of pyridines chain conjugated system molecule derivant and its preparation method and application | 20190125 |
WO-2020116971-A1 | Compounds having pde9a inhibitory activity, and pharmaceutical uses thereof | 20181206 |
KR-20200068994-A | Compound for inhibiting PDE9A and medical uses thereof | 20181206 |
CN-113166161-A | Compound with PDE9A inhibitory activity and pharmaceutical use thereof | 20181206 |
EP-3892623-A1 | Compounds having pde9a inhibitory activity, and pharmaceutical uses thereof | 20181206 |
Complexity: | 142 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.0137915 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.0137915 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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Related Functional Groups
Benzoxazole/Benzothiazole
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