CAS 3381-48-4

1 2D Structure

CAS 3381-48-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-(4-fluorophenyl)-1-(4-methoxyphenyl)methanimine

2.1.2 InChI

InChI=1S/C14H12FNO/c1-17-14-8-2-11(3-9-14)10-16-13-6-4-12(15)5-7-13/h2-10H,1H3

2.1.3 InChI Key

ZICFPEHQRZAFBZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC=C(C=C1)C=NC2=CC=C(C=C2)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 3381-48-4

2. N-(4-fluorophenyl)-1-(4-methoxyphenyl)methanimine

3. Schembl2904627

4. Zinc96460

5. Dtxsid10351732

6. Stk070800

7. Akos000344077

8. 4-fluorophenyl(4-methoxybenzylidene)-amine

9. N-(4-methoxybenzylidene)-4-fluoroaniline, 97%

10. J-019330

11. 4-fluoro-n-[(e)-(4-methoxyphenyl)methylidene]aniline

2.3 Create Date

2005-07-08

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₂FNO
Molecular Weight	229.25 g/mol
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	229.090292168 g/mol
Monoisotopic Mass	229.090292168 g/mol
Topological Polar Surface Area	21.6 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	241
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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