2-Chloro-3-(difluoromethyl)aniline - CAS 1261499-71-1
Catalog: |
BB006502 |
Product Name: |
2-Chloro-3-(difluoromethyl)aniline |
CAS: |
1261499-71-1 |
Synonyms: |
2-chloro-3-(difluoromethyl)aniline; 2-chloro-3-(difluoromethyl)aniline |
IUPAC Name: | 2-chloro-3-(difluoromethyl)aniline |
Description: | 2-Chloro-3-(difluoromethyl)aniline (CAS# 1261499-71-1) is a useful research chemical. |
Molecular Weight: | 177.58 |
Molecular Formula: | C7H6ClF2N |
Canonical SMILES: | C1=CC(=C(C(=C1)N)Cl)C(F)F |
InChI: | InChI=1S/C7H6ClF2N/c8-6-4(7(9)10)2-1-3-5(6)11/h1-3,7H,11H2 |
InChI Key: | JSAZZDKKLYHTRZ-UHFFFAOYSA-N |
LogP: | 3.44100 |
Publication Number | Title | Priority Date |
AU-2012288511-A1 | Heterocyclic amide derivatives as P2X7 receptor antagonists | 20110722 |
CA-2838640-A1 | Heterocyclic amide derivatives as p2x7 receptor antagonists | 20110722 |
CA-2838640-C | Heterocyclic amide derivatives as p2x7 receptor antagonists | 20110722 |
CN-103687860-B | As P2X7The heterocyclic amide derivative of receptor antagonist | 20110722 |
EP-2734526-A1 | Heterocyclic amide derivatives as p2x7 receptor antagonists | 20110722 |
Complexity: | 132 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.0156832 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.0156832 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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Amines and Anilines
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