Home Sulfos 3-chloro-4-(methanesulfonylmethyl)aniline

3-chloro-4-(methanesulfonylmethyl)aniline

CAS No.:
1044145-58-5
Catalog Number:
AG01A6WN
Molecular Formula:
C8H10ClNO2S
Molecular Weight:
219.6885
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Product Description
Catalog Number:
AG01A6WN
Chemical Name:
3-chloro-4-(methanesulfonylmethyl)aniline
CAS Number:
1044145-58-5
Molecular Formula:
C8H10ClNO2S
Molecular Weight:
219.6885
MDL Number:
MFCD16156708
IUPAC Name:
3-chloro-4-(methylsulfonylmethyl)aniline
InChI:
InChI=1S/C8H10ClNO2S/c1-13(11,12)5-6-2-3-7(10)4-8(6)9/h2-4H,5,10H2,1H3
InChI Key:
ZUIPWWSEHUCFMN-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)Cl)CS(=O)(=O)C
Properties
Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.012g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.683g/mol
Monoisotopic Mass:
219.012g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties