5-Chlorobenzoxazole-2-methanamine - CAS 936074-77-0
Catalog: |
BB040981 |
Product Name: |
5-Chlorobenzoxazole-2-methanamine |
CAS: |
936074-77-0 |
Synonyms: |
(5-chloro-1,3-benzoxazol-2-yl)methanamine; (5-chloro-1,3-benzoxazol-2-yl)methanamine |
IUPAC Name: | (5-chloro-1,3-benzoxazol-2-yl)methanamine |
Description: | 5-Chlorobenzoxazole-2-methanamine (CAS# 936074-77-0) is a useful research chemical compound. |
Molecular Weight: | 182.61 |
Molecular Formula: | C8H7ClN2O |
Canonical SMILES: | C1=CC2=C(C=C1Cl)N=C(O2)CN |
InChI: | InChI=1S/C8H7ClN2O/c9-5-1-2-7-6(3-5)11-8(4-10)12-7/h1-3H,4,10H2 |
InChI Key: | JNUWJMBBBWTDGL-UHFFFAOYSA-N |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.0246905 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.0246905 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 52 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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Benzoxazole/Benzothiazole
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