1-Benzotriazol-1-yl-3-chloropropan-2-one - CAS 305851-04-1
Catalog: |
BB020657 |
Product Name: |
1-Benzotriazol-1-yl-3-chloropropan-2-one |
CAS: |
305851-04-1 |
Synonyms: |
1-(benzotriazol-1-yl)-3-chloropropan-2-one |
IUPAC Name: | 1-(benzotriazol-1-yl)-3-chloropropan-2-one |
Description: | 1-Benzotriazol-1-yl-3-chloropropan-2-one (CAS# 305851-04-1) is a useful research chemical. |
Molecular Weight: | 209.63 |
Molecular Formula: | C9H8ClN3O |
Canonical SMILES: | C1=CC=C2C(=C1)N=NN2CC(=O)CCl |
InChI: | InChI=1S/C9H8ClN3O/c10-5-7(14)6-13-9-4-2-1-3-8(9)11-12-13/h1-4H,5-6H2 |
InChI Key: | INRLHOWDOGFXJJ-UHFFFAOYSA-N |
Boiling Point: | 381.9 °C at 760 mmHg |
Purity: | 90 % |
Density: | 1.42 g/cm3 |
MDL: | MFCD01823137 |
LogP: | 1.23920 |
Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.0355896 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.0355896 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 47.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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