3-(Fluoromethyl)aniline - CAS 456-46-2
Catalog: |
BB025956 |
Product Name: |
3-(Fluoromethyl)aniline |
CAS: |
456-46-2 |
Synonyms: |
3-(fluoromethyl)aniline; 3-(fluoromethyl)aniline |
IUPAC Name: | 3-(fluoromethyl)aniline |
Description: | 3-(Fluoromethyl)aniline (CAS# 456-46-2) is a useful research chemical. |
Molecular Weight: | 125.14 |
Molecular Formula: | C7H8FN |
Canonical SMILES: | C1=CC(=CC(=C1)N)CF |
InChI: | InChI=1S/C7H8FN/c8-5-6-2-1-3-7(9)4-6/h1-4H,5,9H2 |
InChI Key: | XKGDSQJAWPPBHI-UHFFFAOYSA-N |
LogP: | 2.31950 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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CN-108329229-A | A kind of fluorine-containing benzamides compound and its preparation method and application | 20180420 |
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Complexity: | 85 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 125.064077422 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 125.064077422 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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