| CAS Number | 915412-18-9 |
| Catalog Number | AG00H4XY |
| Chemical Name | 1-Bromo-3-iodo-5-methoxybenzene |
| IUPAC Name | 1-bromo-3-iodo-5-methoxybenzene |
| InChI | InChI=1S/C7H6BrIO/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3 |
| InChI Key | NZIJHOGYRDWRBW-UHFFFAOYSA-N |
| MDL Number | MFCD12547766 |
| Molecular Formula | C7H6BrIO |
| Molecular Weight | 312.9304 |
| SMILES | COC1=CC(I)=CC(Br)=C1 |
| Synonyms | 3-Bromo-5-iodoanisole,
1-bromo-3-iodo-5-methoxybenzene,
915412-18-9,
SCHEMBL1710751,
NZIJHOGYRDWRBW-UHFFFAOYSA-N,
1-Bromo-3-iodo-5-methoxy-benzene,
MFCD12547766,
ZINC40571393,
AKOS027384269,
FCH1367342,
OR46092,
DA-01226,
PS-11877,
FT-0767805,
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| Complexity | 110 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 311.865g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.932g/mol |
| Monoisotopic Mass | 311.865g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
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