Home Sulfos 2-cyano-4-(trifluoromethyl)benzene-1-sulfonyl chloride

2-cyano-4-(trifluoromethyl)benzene-1-sulfonyl chloride

CAS No.:
1249999-95-8
Catalog Number:
AG01AK00
Molecular Formula:
C8H3ClF3NO2S
Molecular Weight:
269.6281
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Product Description
Catalog Number:
AG01AK00
Chemical Name:
2-cyano-4-(trifluoromethyl)benzene-1-sulfonyl chloride
CAS Number:
1249999-95-8
Molecular Formula:
C8H3ClF3NO2S
Molecular Weight:
269.6281
MDL Number:
MFCD16093679
IUPAC Name:
2-cyano-4-(trifluoromethyl)benzenesulfonyl chloride
InChI:
InChI=1S/C8H3ClF3NO2S/c9-16(14,15)7-2-1-6(8(10,11)12)3-5(7)4-13/h1-3H
InChI Key:
MITFCFJALKLPLC-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1S(=O)(=O)Cl)C(F)(F)F
Properties
Complexity:
405  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.953g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.622g/mol
Monoisotopic Mass:
268.953g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties