3-Fluoro-4-(4-methyl-1-imidazolyl)aniline - CAS 252340-70-8
Catalog: |
BB018805 |
Product Name: |
3-Fluoro-4-(4-methyl-1-imidazolyl)aniline |
CAS: |
252340-70-8 |
Synonyms: |
3-fluoro-4-(4-methyl-1-imidazolyl)aniline; 3-fluoro-4-(4-methylimidazol-1-yl)aniline |
IUPAC Name: | 3-fluoro-4-(4-methylimidazol-1-yl)aniline |
Description: | 3-Fluoro-4-(4-methyl-1-imidazolyl)aniline (CAS# 252340-70-8 ) is a useful research chemical. |
Molecular Weight: | 191.20 |
Molecular Formula: | C10H10FN3 |
Canonical SMILES: | CC1=CN(C=N1)C2=C(C=C(C=C2)N)F |
InChI: | InChI=1S/C10H10FN3/c1-7-5-14(6-13-7)10-3-2-8(12)4-9(10)11/h2-6H,12H2,1H3 |
InChI Key: | XUDKNXYCYIYBIG-UHFFFAOYSA-N |
Boiling Point: | 371.1 ℃ at 760 mmHg |
Density: | 1.26 g/cm3 |
LogP: | 2.48320 |
Publication Number | Title | Priority Date |
EP-3481829-A1 | Fused pyrimidine derivatives | 20160708 |
JP-2019520399-A | Fused pyrimidine derivative | 20160708 |
US-10669276-B2 | Fused pyrimidine derivatives | 20160708 |
US-2019256517-A1 | Fused pyrimidine derivatives | 20160708 |
WO-2018007331-A1 | Fused pyrimidine derivatives | 20160708 |
Complexity: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.08587549 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.08587549 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 43.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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