Home Other Building Blocks 3-(4-fluorophenoxymethyl)aniline

3-(4-fluorophenoxymethyl)aniline

CAS No.:
1016531-20-6
Catalog Number:
AG01BA58
Molecular Formula:
C13H12FNO
Molecular Weight:
217.2389
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Product Description
Catalog Number:
AG01BA58
Chemical Name:
3-(4-fluorophenoxymethyl)aniline
CAS Number:
1016531-20-6
Molecular Formula:
C13H12FNO
Molecular Weight:
217.2389
MDL Number:
MFCD09803139
IUPAC Name:
3-[(4-fluorophenoxy)methyl]aniline
InChI:
InChI=1S/C13H12FNO/c14-11-4-6-13(7-5-11)16-9-10-2-1-3-12(15)8-10/h1-8H,9,15H2
InChI Key:
KGXDFHZVDFLUTB-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)OCc1cccc(c1)N
Properties
Complexity:
204  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.09g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
217.243g/mol
Monoisotopic Mass:
217.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties