1,3-Dichloro-5-methoxy-2,4,6-trinitrobenzene - CAS 50903-10-1
Catalog: |
BB055753 |
Product Name: |
1,3-Dichloro-5-methoxy-2,4,6-trinitrobenzene |
CAS: |
50903-10-1 |
Synonyms: |
1,3-Dichloro-5-methoxy-2,4,6-trinitrobenzene; 3,5-dichloro-2,4,6-trinitroanisole; 1-Methoxy-2,4,6-trinitro-3,5-dichlorobenzene |
IUPAC Name: | 1,3-dichloro-5-methoxy-2,4,6-trinitrobenzene |
Description: | Trinitrobenzene derivatives. |
Molecular Weight: | 312.02 |
Molecular Formula: | C7H3Cl2N3O7 |
Canonical SMILES: | COC1=C(C(=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])Cl)[N+](=O)[O-] |
InChI: | InChI=1S/C7H3Cl2N3O7/c1-19-7-5(11(15)16)2(8)4(10(13)14)3(9)6(7)12(17)18/h1H3 |
InChI Key: | CNNAAYAAYYSHRV-UHFFFAOYSA-N |
Solubility: | Dichloromethane |
Appearance: | Yellow Solid |
Complexity: | 364 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 310.9348048 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 310.9348048 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 147Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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