4-Chloro-1,2-benzoxazol-3-amine - CAS 868271-15-2
Catalog: |
BB055545 |
Product Name: |
4-Chloro-1,2-benzoxazol-3-amine |
CAS: |
868271-15-2 |
Synonyms: |
4-Chlorobenzo[d]isoxazol-3-amine; 4-chloro-1,2-benzoxazol-3-amine; 4-Chlorobenzo[d]isoxazole-3-amine; 4-Chloro-1,2-benzisoxazol-3-amine |
IUPAC Name: | 4-chloro-1,2-benzoxazol-3-amine |
Description: | 4-Chloro-1,2-benzoxazol-3-amine |
Molecular Weight: | 168.58 |
Molecular Formula: | C7H5ClN2O |
Canonical SMILES: | C1=CC2=C(C(=C1)Cl)C(=NO2)N |
InChI: | InChI=1S/C7H5ClN2O/c8-4-2-1-3-5-6(4)7(9)10-11-5/h1-3H,(H2,9,10) |
InChI Key: | IHRBIDHQEMTPAK-UHFFFAOYSA-N |
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: | 52Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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