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1025259-60-2 | (E)-2-[(4-bromophenyl)sulfonyl]-3-[5-nitro-2-(2-pyridinylsulfanyl)phenyl]-2-propenenitrile
CAS No: 1025259-60-2 Catalog No: AG01FONW MDL No:
Product Description
Catalog Number:
AG01FONW
Chemical Name:
(E)-2-[(4-bromophenyl)sulfonyl]-3-[5-nitro-2-(2-pyridinylsulfanyl)phenyl]-2-propenenitrile
CAS Number:
1025259-60-2
IUPAC Name:
2-(4-bromophenyl)sulfonyl-3-(5-nitro-2-pyridin-2-ylsulfanylphenyl)prop-2-enenitrile
InChI:
InChI=1S/C20H12BrN3O4S2/c21-15-4-7-17(8-5-15)30(27,28)18(13-22)12-14-11-16(24(25)26)6-9-19(14)29-20-3-1-2-10-23-20/h1-12H
InChI Key:
YAKOOWUJYOIKIM-UHFFFAOYSA-N
Properties
Complexity:
791
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
500.945g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
502.357g/mol
Monoisotopic Mass:
500.945g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.9
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