1-[(4-Bromophenyl)sulfanyl]-4-nitrobenzene - CAS 21969-12-0
Catalog: |
BB071269 |
Product Name: |
1-[(4-Bromophenyl)sulfanyl]-4-nitrobenzene |
CAS: |
21969-12-0 |
Synonyms: |
(4-Bromophenyl)(4-nitrophenyl)sulfane; 1-[(4-bromophenyl)sulfanyl]-4-nitrobenzene; 1-(4-bromophenyl)sulfanyl-4-nitrobenzene; 4-Bromo-4'-nitro(thiobisbenzene) |
IUPAC Name: | 1-(4-bromophenyl)sulfanyl-4-nitrobenzene |
Description: | 1-[(4-Bromophenyl)sulfanyl]-4-nitrobenzene |
Molecular Weight: | 310.17 |
Molecular Formula: | C12H8BrNO2S |
Canonical SMILES: | C1=CC(=CC=C1[N+](=O)[O-])SC2=CC=C(C=C2)Br |
InChI: | InChI=1S/C12H8BrNO2S/c13-9-1-5-11(6-2-9)17-12-7-3-10(4-8-12)14(15)16/h1-8H |
InChI Key: | XWPBPDJTKDECOY-UHFFFAOYSA-N |
Complexity: | 256 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 308.94591 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 308.94591 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 71.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.6 |
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