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113444-30-7 | 1,3-Butadiene, 1,1,2,4-tetrachloro-3,4-dinitro-, (Z)- (9CI)
CAS No: 113444-30-7 Catalog No: AG0008M8 MDL No:
Product Description
Catalog Number:
AG0008M8
Chemical Name:
1,3-Butadiene, 1,1,2,4-tetrachloro-3,4-dinitro-, (Z)- (9CI)
CAS Number:
113444-30-7
Molecular Formula:
C4Cl4N2O4
Molecular Weight:
281.8658
IUPAC Name:
1,1,2,4-tetrachloro-3,4-dinitrobuta-1,3-diene
InChI:
InChI=1S/C4Cl4N2O4/c5-1(3(6)7)2(9(11)12)4(8)10(13)14
InChI Key:
AMPPPFBSCIGTNE-UHFFFAOYSA-N
SMILES:
ClC(=C(/C(=C(\[N+](=O)[O-])/Cl)/[N+](=O)[O-])Cl)Cl
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.858g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.854g/mol
Monoisotopic Mass:
279.861g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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