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Home Other Building Blocks 2-fluoro-4-phenylaniline

2-fluoro-4-phenylaniline

CAS No.:
76302-56-2
Catalog Number:
AG01A75T
Molecular Formula:
C12H10FN
Molecular Weight:
187.2129
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Product Description
Catalog Number:
AG01A75T
Chemical Name:
2-fluoro-4-phenylaniline
CAS Number:
76302-56-2
Molecular Formula:
C12H10FN
Molecular Weight:
187.2129
MDL Number:
MFCD06802824
IUPAC Name:
2-fluoro-4-phenylaniline
InChI:
InChI=1S/C12H10FN/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h1-8H,14H2
InChI Key:
XZXOKGACURMTIN-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1F)c1ccccc1
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.08g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
187.217g/mol
Monoisotopic Mass:
187.08g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
Rationally designing safer anilines: the challenging case of 4-aminobiphenyls. Journal of medicinal chemistry 20120426
Properties