2-Bromo-6-methyl-4-nitroanisole - CAS 1345471-89-7
Catalog: |
BB062104 |
Product Name: |
2-Bromo-6-methyl-4-nitroanisole |
CAS: |
1345471-89-7 |
Synonyms: |
2-Bromo-6-methyl-4-nitroanisole; 1-bromo-2-methoxy-3-methyl-5-nitrobenzene |
IUPAC Name: | 1-bromo-2-methoxy-3-methyl-5-nitrobenzene |
Description: | 2-Bromo-6-methyl-4-nitroanisole |
Molecular Weight: | 246.06 |
Molecular Formula: | C8H8BrNO3 |
Canonical SMILES: | CC1=CC(=CC(=C1OC)Br)[N+](=O)[O-] |
InChI: | InChI=1S/C8H8BrNO3/c1-5-3-6(10(11)12)4-7(9)8(5)13-2/h3-4H,1-2H3 |
InChI Key: | UXCQLNKFIBPGRC-UHFFFAOYSA-N |
Complexity: | 194 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.96876 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.96876 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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