2-Amino-7-chlorobenzoxazole - CAS 64037-11-2
Catalog: |
BB032351 |
Product Name: |
2-Amino-7-chlorobenzoxazole |
CAS: |
64037-11-2 |
Synonyms: |
7-chloro-1,3-benzoxazol-2-amine; 7-chloro-1,3-benzoxazol-2-amine |
IUPAC Name: | 7-chloro-1,3-benzoxazol-2-amine |
Description: | 2-Amino-7-chlorobenzoxazole (CAS# 64037-11-2) is a useful research chemical. |
Molecular Weight: | 168.58 |
Molecular Formula: | C7H5ClN2O |
Canonical SMILES: | C1=CC2=C(C(=C1)Cl)OC(=N2)N |
InChI: | InChI=1S/C7H5ClN2O/c8-4-2-1-3-5-6(4)11-7(9)10-5/h1-3H,(H2,9,10) |
InChI Key: | ZNJCQBBJHFLQAG-UHFFFAOYSA-N |
Boiling Point: | 316.8 °C at 760 mmHg |
Density: | 1.481 g/cm3 |
LogP: | 2.64460 |
Publication Number | Title | Priority Date |
AU-2014307437-B2 | Novel fused pyrimidine compound or salt thereof | 20130812 |
CA-2921208-A1 | Fused pyrimidine compound or salt thereof | 20130812 |
CA-2921208-C | Fused pyrimidine compound or salt thereof | 20130812 |
DK-2947086-T3 | Unknown condensed pyrimidine compound or salt thereof | 20130812 |
EP-2947086-A1 | Novel fused pyrimidine compound or salt thereof | 20130812 |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.0090405 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.0090405 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 52 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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Related Functional Groups
Benzoxazole/Benzothiazole
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