4-Azido-3-fluorobenzenemethanol - CAS 903562-92-5
Catalog: |
BB075116 |
Product Name: |
4-Azido-3-fluorobenzenemethanol |
CAS: |
903562-92-5 |
Synonyms: |
(4-azido-3-fluorophenyl)methanol; 3-Fluoro-4-azidobenzyl alcohol |
IUPAC Name: | (4-azido-3-fluorophenyl)methanol |
Description: | 4-Azido-3-fluorobenzenemethanol is used in the preparation of peptide conjugates of phosphoramide mustard as PSA-activated prodrugs. |
Molecular Weight: | 167.14 |
Molecular Formula: | C7H6FN3O |
Canonical SMILES: | C1=CC(=C(C=C1CO)F)N=[N+]=[N-] |
InChI: | InChI=1S/C7H6FN3O/c8-6-3-5(4-12)1-2-7(6)10-11-9/h1-3,12H,4H2 |
InChI Key: | RMYWADVBVCHHGP-UHFFFAOYSA-N |
References: | Wu, Xinghua., et al. Bioorganic Med. Chem. Lett., 24, 2697 (2016). |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.04948999 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.04948999 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 34.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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