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89375-13-3 | Benzene, 1-(1-chloro-4-nitro-1,3-butadienyl)-4-nitro-
CAS No: 89375-13-3 Catalog No: AG003WFQ MDL No:
Product Description
Catalog Number:
AG003WFQ
Chemical Name:
Benzene, 1-(1-chloro-4-nitro-1,3-butadienyl)-4-nitro-
CAS Number:
89375-13-3
Molecular Formula:
C10H7ClN2O4
Molecular Weight:
254.6266
IUPAC Name:
1-(1-chloro-4-nitrobuta-1,3-dienyl)-4-nitrobenzene
InChI:
InChI=1S/C10H7ClN2O4/c11-10(2-1-7-12(14)15)8-3-5-9(6-4-8)13(16)17/h1-7H
InChI Key:
OEFUQIFRJYFDJV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C=CC=C(c1ccc(cc1)[N+](=O)[O-])Cl
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.009g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.626g/mol
Monoisotopic Mass:
254.009g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.1
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