Home Halogens 3-chloro-4-fluoro-N-[(3-methylthiophen-2-yl)methyl]aniline

3-chloro-4-fluoro-N-[(3-methylthiophen-2-yl)methyl]aniline

CAS No.:
851457-05-1
Catalog Number:
AG019NXR
Molecular Formula:
C12H11ClFNS
Molecular Weight:
255.7388
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Product Description
Catalog Number:
AG019NXR
Chemical Name:
3-chloro-4-fluoro-N-[(3-methylthiophen-2-yl)methyl]aniline
CAS Number:
851457-05-1
Molecular Formula:
C12H11ClFNS
Molecular Weight:
255.7388
MDL Number:
MFCD04480369
IUPAC Name:
3-chloro-4-fluoro-N-[(3-methylthiophen-2-yl)methyl]aniline
InChI:
InChI=1S/C12H11ClFNS/c1-8-4-5-16-12(8)7-15-9-2-3-11(14)10(13)6-9/h2-6,15H,7H2,1H3
InChI Key:
NNZXKZMBCLQZLN-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1Cl)NCc1sccc1C
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.028g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
255.735g/mol
Monoisotopic Mass:
255.028g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
40.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Properties