1-Bromo-2-chloro-5-isobutyl-4-nitrobenzene - CAS 1393441-78-5
Catalog: |
BB072277 |
Product Name: |
1-Bromo-2-chloro-5-isobutyl-4-nitrobenzene |
CAS: |
1393441-78-5 |
Synonyms: |
1-BROMO-2-CHLORO-5-(2-METHYLPROPOXY)-4-NITROBENZENE; Benzene, 1-bromo-2-chloro-5-(2-methylpropoxy)-4-nitro- |
IUPAC Name: | 1-bromo-2-chloro-5-(2-methylpropoxy)-4-nitrobenzene |
Description: | 1-Bromo-2-chloro-5-isobutyl-4-nitrobenzene |
Molecular Weight: | 292.55 |
Molecular Formula: | C10H11BrClNO2 |
Canonical SMILES: | CC(C)COC1=CC(=C(C=C1[N+](=O)[O-])Cl)Br |
InChI: | InChI=1S/C10H11BrClNO3/c1-6(2)5-16-10-3-7(11)8(12)4-9(10)13(14)15/h3-4,6H,5H2,1-2H3 |
InChI Key: | FYHHPPAZEKVUQM-UHFFFAOYSA-N |
Complexity: | 247 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 306.96108 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 306.96108 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.4 |
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