3-Fluoro-4-imidazol-1-ylaniline - CAS 190200-19-2
Catalog: |
BB042814 |
Product Name: |
3-Fluoro-4-imidazol-1-ylaniline |
CAS: |
190200-19-2 |
Synonyms: |
3-Fluoro-4-(1H-imidazol-1-yl)aniline; 3-Fluoro-4-imidazolylphenylamine; 3-Fluoro-4-(1H-imidazol-1-yl)phenylamine; SCHEMBL1354709 |
IUPAC Name: | 3-fluoro-4-imidazol-1-ylaniline |
Description: | 3-Fluoro-4-imidazol-1-ylaniline (CAS# 190200-19-2 ) is a useful research chemical. |
Molecular Weight: | 177.18 |
Molecular Formula: | C9H8FN3 |
Canonical SMILES: | C1=CC(=C(C=C1N)F)N2C=CN=C2 |
InChI: | InChI=1S/C9H8FN3/c10-8-5-7(11)1-2-9(8)13-4-3-12-6-13/h1-6H,11H2 |
InChI Key: | FWEVZRRTTOEITN-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 176 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.07022543 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.07022543 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 43.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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