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14371-82-5 | Benzenethiol, 2-nitro-4-(trifluoromethyl)-
CAS No: 14371-82-5 Catalog No: AG001I8U MDL No:MFCD00013454
Product Description
Catalog Number:
AG001I8U
Chemical Name:
Benzenethiol, 2-nitro-4-(trifluoromethyl)-
CAS Number:
14371-82-5
Molecular Formula:
C7H4F3NO2S
Molecular Weight:
223.1724
MDL Number:
MFCD00013454
IUPAC Name:
2-nitro-4-(trifluoromethyl)benzenethiol
InChI:
InChI=1S/C7H4F3NO2S/c8-7(9,10)4-1-2-6(14)5(3-4)11(12)13/h1-3,14H
InChI Key:
HUJMWBOFGAQSMR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1S)C(F)(F)F
EC Number:
238-343-5
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.991g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.169g/mol
Monoisotopic Mass:
222.991g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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