6-Chloro-2-(1,4-diazepan-1-yl)-1,3-benzoxazole - CAS 1035840-25-5
Catalog: |
BB048059 |
Product Name: |
6-Chloro-2-(1,4-diazepan-1-yl)-1,3-benzoxazole |
CAS: |
1035840-25-5 |
Synonyms: |
6-chloro-2-(1,4-diazaperhydroepinyl)benzoxazole; 6-chloro-2-(1,4-diazepan-1-yl)benzo[d]oxazole |
IUPAC Name: | 6-chloro-2-(1,4-diazepan-1-yl)-1,3-benzoxazole |
Description: | 6-Chloro-2-(1,4-diazepan-1-yl)-1,3-benzoxazole (CAS# 1035840-25-5 ) is a useful research chemical. |
Molecular Weight: | 251.71 |
Molecular Formula: | C12H14ClN3O |
Canonical SMILES: | C1CNCCN(C1)C2=NC3=C(O2)C=C(C=C3)Cl |
InChI: | InChI=1S/C12H14ClN3O/c13-9-2-3-10-11(8-9)17-12(15-10)16-6-1-4-14-5-7-16/h2-3,8,14H,1,4-7H2 |
InChI Key: | UOYWZGNXQWELDK-UHFFFAOYSA-N |
Complexity: | 266 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 251.0825398 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 251.0825398 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 41.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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