1-(4-Fluoro-3-nitrophenyl)ethanol - CAS 774-86-7
Catalog: |
BB035962 |
Product Name: |
1-(4-Fluoro-3-nitrophenyl)ethanol |
CAS: |
774-86-7 |
Synonyms: |
1-(4-fluoro-3-nitrophenyl)ethanol; 1-(4-fluoro-3-nitrophenyl)ethanol |
IUPAC Name: | 1-(4-fluoro-3-nitrophenyl)ethanol |
Description: | 1-(4-Fluoro-3-nitrophenyl)ethanol (CAS# 774-86-7 ) is a useful research chemical. |
Molecular Weight: | 185.15 |
Molecular Formula: | C8H8FNO3 |
Canonical SMILES: | CC(C1=CC(=C(C=C1)F)[N+](=O)[O-])O |
InChI: | InChI=1S/C8H8FNO3/c1-5(11)6-2-3-7(9)8(4-6)10(12)13/h2-5,11H,1H3 |
InChI Key: | IACYNVDAYQTIKW-UHFFFAOYSA-N |
LogP: | 1.08820 |
Publication Number | Title | Priority Date |
BR-112020018718-A2 | SPIROCYCLIC ROR-GAMMA MODULATORS | 20180312 |
CN-112118841-A | Spirocyclic ROR-gamma modulators | 20180312 |
US-2021053976-A1 | Spirocyclic ror-gamma modulators | 20180312 |
JP-2021517565-A | Spiro cyclic ROR-γ modulator | 20180312 |
KR-20210060367-A | Spirocyclic ROR-gamma modulator | 20180312 |
Complexity: | 194 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.04882128 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.04882128 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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