1-Bromo-2-chloro-5-(2-methoxyethoxy)-4-nitrobenzene - CAS 1393441-69-4
Catalog: |
BB071846 |
Product Name: |
1-Bromo-2-chloro-5-(2-methoxyethoxy)-4-nitrobenzene |
CAS: |
1393441-69-4 |
Synonyms: |
1-Bromo-2-chloro-5-(2-methoxyethoxy)-4-nitrobenzene |
IUPAC Name: | 1-bromo-2-chloro-5-(2-methoxyethoxy)-4-nitrobenzene |
Description: | 1-Bromo-2-chloro-5-(2-methoxyethoxy)-4-nitrobenzene |
Molecular Weight: | 310.52 |
Molecular Formula: | C9H9BrClNO4 |
Canonical SMILES: | COCCOC1=CC(=C(C=C1[N+](=O)[O-])Cl)Br |
InChI: | InChI=1S/C9H9BrClNO4/c1-15-2-3-16-9-4-6(10)7(11)5-8(9)12(13)14/h4-5H,2-3H2,1H3 |
InChI Key: | TWNFDVCXFBHEQF-UHFFFAOYSA-N |
Complexity: | 238 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 308.94035 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 308.94035 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 64.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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