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885270-39-3 | 3-(2-((4-Fluorophenyl)amino)ethyl)phenol
CAS No: 885270-39-3 Catalog No: AG004746 MDL No:MFCD04114496
Product Description
Catalog Number:
AG004746
Chemical Name:
3-(2-((4-Fluorophenyl)amino)ethyl)phenol
CAS Number:
885270-39-3
Molecular Formula:
C14H14FNO
Molecular Weight:
231.2655
MDL Number:
MFCD04114496
IUPAC Name:
3-[2-(4-fluoroanilino)ethyl]phenol
InChI:
InChI=1S/C14H14FNO/c15-12-4-6-13(7-5-12)16-9-8-11-2-1-3-14(17)10-11/h1-7,10,16-17H,8-9H2
InChI Key:
ROZIVUFMVMXEJH-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)NCCc1cccc(c1)O
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.27g/mol
Monoisotopic Mass:
231.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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