2-Ethynyl-4-fluoroaniline - CAS 887903-03-9
Catalog: |
BB039206 |
Product Name: |
2-Ethynyl-4-fluoroaniline |
CAS: |
887903-03-9 |
Synonyms: |
2-ethynyl-4-fluoroaniline; 2-ethynyl-4-fluoroaniline |
IUPAC Name: | 2-ethynyl-4-fluoroaniline |
Description: | 2-Ethynyl-4-fluoroaniline (CAS# 887903-03-9 ) is a useful research chemical. |
Molecular Weight: | 135.14 |
Molecular Formula: | C8H6FN |
Canonical SMILES: | C#CC1=C(C=CC(=C1)F)N |
InChI: | InChI=1S/C8H6FN/c1-2-6-5-7(9)3-4-8(6)10/h1,3-5H,10H2 |
InChI Key: | PYMOBOZQTNLAHX-UHFFFAOYSA-N |
LogP: | 1.97040 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020127960-A1 | Disubstituted alkyne derivatives | 20181221 |
KR-20200067073-A | Substituted or unsubstituted 4-bromo-2-fluoroquinoline, method of the same and 2,4 substituted quinoline compounds containing them | 20181203 |
KR-102242238-B1 | Substituted or unsubstituted 4-bromo-2-fluoroquinoline, method of the same and 2,4 substituted quinoline compounds containing them | 20181203 |
CN-109384683-A | A kind of preparation method of 2- amino-5-fluorine acetophenone | 20181112 |
CN-109384683-B | Preparation method of 2-amino-5-fluoroacetophenone | 20181112 |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 135.048427358 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 135.048427358 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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Amines and Anilines
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