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179049-09-3 | 1,3-Butadiene, 1-bromo-1,2,4,4-tetrachloro-3-nitro-, (1E)-
CAS No: 179049-09-3 Catalog No: AG0026Q6 MDL No:
Product Description
Catalog Number:
AG0026Q6
Chemical Name:
1,3-Butadiene, 1-bromo-1,2,4,4-tetrachloro-3-nitro-, (1E)-
CAS Number:
179049-09-3
Molecular Formula:
C4BrCl4NO2
Molecular Weight:
315.7643
IUPAC Name:
1-bromo-1,2,4,4-tetrachloro-3-nitrobuta-1,3-diene
InChI:
InChI=1S/C4BrCl4NO2/c5-3(7)1(6)2(4(8)9)10(11)12
InChI Key:
GSJNCTPODOZYHV-UHFFFAOYSA-N
SMILES:
Cl/C(=C(/C(=C(Cl)Cl)[N+](=O)[O-])\Cl)/Br
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.784g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.753g/mol
Monoisotopic Mass:
312.787g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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