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78840-46-7 | Benzene, 1-[(bromodifluoromethyl)thio]-4-nitro-
CAS No: 78840-46-7 Catalog No: AG005DFA MDL No:
Product Description
Catalog Number:
AG005DFA
Chemical Name:
Benzene, 1-[(bromodifluoromethyl)thio]-4-nitro-
CAS Number:
78840-46-7
Molecular Formula:
C7H4BrF2NO2S
Molecular Weight:
284.0780
IUPAC Name:
1-[bromo(difluoro)methyl]sulfanyl-4-nitrobenzene
InChI:
InChI=1S/C7H4BrF2NO2S/c8-7(9,10)14-6-3-1-5(2-4-6)11(12)13/h1-4H
InChI Key:
BVRHCNRPPZCQIS-UHFFFAOYSA-N
SMILES:
FC(Sc1ccc(cc1)[N+](=O)[O-])(Br)F
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.911g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.075g/mol
Monoisotopic Mass:
282.911g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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