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Home > Nitro Compounds > 200123-22-4
200123-22-4 | Benzene, 1-(1-methylethyl)-4-[(4-nitrophenyl)thio]-
CAS No: 200123-22-4 Catalog No: AG002CJW MDL No:
Product Description
Catalog Number:
AG002CJW
Chemical Name:
Benzene, 1-(1-methylethyl)-4-[(4-nitrophenyl)thio]-
CAS Number:
200123-22-4
Molecular Formula:
C15H15NO2S
Molecular Weight:
273.3501
IUPAC Name:
1-(4-nitrophenyl)sulfanyl-4-propan-2-ylbenzene
InChI:
InChI=1S/C15H15NO2S/c1-11(2)12-3-7-14(8-4-12)19-15-9-5-13(6-10-15)16(17)18/h3-11H,1-2H3
InChI Key:
SUXAMKBRCBZPNB-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)Sc1ccc(cc1)[N+](=O)[O-])C
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.082g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.35g/mol
Monoisotopic Mass:
273.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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