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26195-44-8 | Propanedinitrile, 2-[(3,5-dibromo-4-hydroxyphenyl)methylene]-
CAS No: 26195-44-8 Catalog No: AG002S64 MDL No:
Product Description
Catalog Number:
AG002S64
Chemical Name:
Propanedinitrile, 2-[(3,5-dibromo-4-hydroxyphenyl)methylene]-
CAS Number:
26195-44-8
Molecular Formula:
C10H4Br2N2O
Molecular Weight:
327.9596
IUPAC Name:
2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]propanedinitrile
InChI:
InChI=1S/C10H4Br2N2O/c11-8-2-6(1-7(4-13)5-14)3-9(12)10(8)15/h1-3,15H
InChI Key:
TZWVYXKBAATBPU-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1cc(Br)c(c(c1)Br)O)C#N
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.867g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.963g/mol
Monoisotopic Mass:
325.869g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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