| CAS Number | 333385-25-4 |
| Catalog Number | AG00CMR9(AGN-PC-09T3MJ) |
| Chemical Name | 3-Bromo-5-methoxybenzofuran |
| IUPAC Name | 3-bromo-5-methoxy-1-benzofuran |
| InChI | InChI=1S/C9H7BrO2/c1-11-6-2-3-9-7(4-6)8(10)5-12-9/h2-5H,1H3 |
| InChI Key | SXTHYDGHIPTSEC-UHFFFAOYSA-N |
| MDL Number | MFCD22560097 |
| Molecular Formula | C9H7BrO2 |
| Molecular Weight | 227.0547 |
| SMILES | COC1=CC2=C(OC=C2Br)C=C1 |
| Synonyms | 3-BROMO-5-METHOXYBENZOFURAN,
333385-25-4,
3-bromo-5-methoxy-benzofuran,
SCHEMBL3376213,
3-Bromo-5-methoxy-1-benzofuran,
CTK8C0660,
DTXSID10700089,
SXTHYDGHIPTSEC-UHFFFAOYSA-N,
ANW-65046,
MFCD22560097,
ZINC82359468,
AKOS016005312,
DS-4032,
FCH2272519,
AC-25648,
AK103170,
AJ-125192,
AX8234709,
TC-153791,
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| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.057g/mol |
| Monoisotopic Mass | 225.963g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 22.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number