Home Other Building Blocks 4-fluoro-2-(methanesulfinylmethyl)aniline

4-fluoro-2-(methanesulfinylmethyl)aniline

CAS No.:
1101063-45-9
Catalog Number:
AG01ABPJ
Molecular Formula:
C8H10FNOS
Molecular Weight:
187.2345
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Product Description
Catalog Number:
AG01ABPJ
Chemical Name:
4-fluoro-2-(methanesulfinylmethyl)aniline
CAS Number:
1101063-45-9
Molecular Formula:
C8H10FNOS
Molecular Weight:
187.2345
MDL Number:
MFCD14613587
IUPAC Name:
4-fluoro-2-(methylsulfinylmethyl)aniline
InChI:
InChI=1S/C8H10FNOS/c1-12(11)5-6-4-7(9)2-3-8(6)10/h2-4H,5,10H2,1H3
InChI Key:
UMQHALUXFRQOHS-UHFFFAOYSA-N
SMILES:
CS(=O)Cc1cc(F)ccc1N
Properties
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.047g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
187.232g/mol
Monoisotopic Mass:
187.047g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties