1-Bromo-2-chloro-4-nitro-5-propoxybenzene - CAS 1400644-91-8
Catalog: |
BB061929 |
Product Name: |
1-Bromo-2-chloro-4-nitro-5-propoxybenzene |
CAS: |
1400644-91-8 |
Synonyms: |
1-Bromo-2-chloro-4-nitro-5-propoxybenzene |
IUPAC Name: | 1-bromo-2-chloro-4-nitro-5-propoxybenzene |
Description: | 1-Bromo-2-chloro-4-nitro-5-propoxybenzene |
Molecular Weight: | 294.53 |
Molecular Formula: | C9H9BrClNO3 |
Canonical SMILES: | CCCOC1=CC(=C(C=C1[N+](=O)[O-])Cl)Br |
InChI: | InChI=1S/C9H9BrClNO3/c1-2-3-15-9-4-6(10)7(11)5-8(9)12(13)14/h4-5H,2-3H2,1H3 |
InChI Key: | XTLCURYXRFGOMK-UHFFFAOYSA-N |
Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 292.94543 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 292.94543 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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