Name: Name:N-(2H-1,3-benzodioxol-5-ylmethyl)-4-fluoroaniline
Brand: Angene
SKU: AG01AB4I
Rating: 90 (10 reviews)

N-(2H-1,3-benzodioxol-5-ylmethyl)-4-fluoroaniline

CAS No.:

202599-73-3

Catalog Number:

AG01AB4I

Molecular Formula:

C14H12FNO2

Molecular Weight:

245.2490

Catalog Number:

AG01AB4I

Chemical Name:

N-(2H-1,3-benzodioxol-5-ylmethyl)-4-fluoroaniline

CAS Number:

202599-73-3

Molecular Formula:

C14H12FNO2

Molecular Weight:

245.2490

MDL Number:

MFCD00022957

IUPAC Name:

N-(1,3-benzodioxol-5-ylmethyl)-4-fluoroaniline

InChI:

InChI=1S/C14H12FNO2/c15-11-2-4-12(5-3-11)16-8-10-1-6-13-14(7-10)18-9-17-13/h1-7,16H,8-9H2

InChI Key:

UJLOFZRCJRQALK-UHFFFAOYSA-N

SMILES:

Fc1ccc(cc1)NCc1ccc2c(c1)OCO2

Complexity:

269

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

245.085g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

245.253g/mol

Monoisotopic Mass:

245.085g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

30.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5