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89039-24-7 | Benzene, 1-[2-chloro-1-[(4-nitrophenyl)thio]ethyl]-3-nitro-
CAS No: 89039-24-7 Catalog No: AG0043BX MDL No:
Product Description
Catalog Number:
AG0043BX
Chemical Name:
Benzene, 1-[2-chloro-1-[(4-nitrophenyl)thio]ethyl]-3-nitro-
CAS Number:
89039-24-7
Molecular Formula:
C14H11ClN2O4S
Molecular Weight:
338.7661
IUPAC Name:
1-[2-chloro-1-(4-nitrophenyl)sulfanylethyl]-3-nitrobenzene
InChI:
InChI=1S/C14H11ClN2O4S/c15-9-14(10-2-1-3-12(8-10)17(20)21)22-13-6-4-11(5-7-13)16(18)19/h1-8,14H,9H2
InChI Key:
CZIIBADQFIGORA-UHFFFAOYSA-N
SMILES:
ClCC(c1cccc(c1)[N+](=O)[O-])Sc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.013g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.762g/mol
Monoisotopic Mass:
338.013g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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