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837-95-6 | 2-Nitro-4-(trifluoromethyl)benzene-1-sulfonyl chloride
CAS No: 837-95-6 Catalog No: AG003HS1 MDL No:MFCD00013456
Product Description
Catalog Number:
AG003HS1
Chemical Name:
2-Nitro-4-(trifluoromethyl)benzene-1-sulfonyl chloride
CAS Number:
837-95-6
Molecular Formula:
C7H3ClF3NO4S
Molecular Weight:
289.6162
MDL Number:
MFCD00013456
IUPAC Name:
2-nitro-4-(trifluoromethyl)benzenesulfonyl chloride
InChI:
InChI=1S/C7H3ClF3NO4S/c8-17(15,16)6-2-1-4(7(9,10)11)3-5(6)12(13)14/h1-3H
InChI Key:
KXEMVGQZZLRLBE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1S(=O)(=O)Cl)C(F)(F)F
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.942g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.609g/mol
Monoisotopic Mass:
288.942g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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