4-Bromo-2-methoxybiphenyl - CAS 227305-07-9
Catalog: |
BB071947 |
Product Name: |
4-Bromo-2-methoxybiphenyl |
CAS: |
227305-07-9 |
Synonyms: |
4-Bromo-2-methoxybiphenyl; 4-Bromo-2-methoxy-1,1'-biphenyl; 4-bromo-2-methoxy-1-phenylbenzene; 4-Bromo-2-methoxylbiphenyl |
IUPAC Name: | 4-bromo-2-methoxy-1-phenylbenzene |
Molecular Weight: | 263.13 |
Molecular Formula: | C13H11BrO |
Canonical SMILES: | COC1=C(C=CC(=C1)Br)C2=CC=CC=C2 |
InChI: | InChI=1S/C13H11BrO/c1-15-13-9-11(14)7-8-12(13)10-5-3-2-4-6-10/h2-9H,1H3 |
InChI Key: | ZREIJSSRWLYNDK-UHFFFAOYSA-N |
References: | Dack, K.N., et al. PCT Int. Appl. WO 9929667 A1 19990617. Jun 17, 1999. |
Complexity: | 189 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 261.99933 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 261.99933 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 9.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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