| CAS Number | 860695-64-3 |
| Catalog Number | AG003RRI(AGN-PC-09PZ78) |
| Chemical Name | Methyl 3-bromo-5-ethoxybenzoate |
| IUPAC Name | methyl 3-bromo-5-ethoxybenzoate |
| InChI | InChI=1S/C10H11BrO3/c1-3-14-9-5-7(10(12)13-2)4-8(11)6-9/h4-6H,3H2,1-2H3 |
| InChI Key | KXRZCRIKLQRDKT-UHFFFAOYSA-N |
| MDL Number | MFCD16295085 |
| Molecular Formula | C10H11BrO3 |
| Molecular Weight | 259.0965 |
| SMILES | CCOc1cc(Br)cc(c1)C(=O)OC |
| Synonyms | METHYL 3-BROMO-5-ETHOXYBENZOATE,
860695-64-3,
ACMC-209q8i,
SCHEMBL16397245,
CTK5F6231,
DTXSID70681820,
KXRZCRIKLQRDKT-UHFFFAOYSA-N,
ANW-38272,
MFCD16295085,
ZINC65336999,
AKOS015834183,
CJ-21017,
AJ-114951,
TR-038036,
V8158,
B-4342,
I01-11028,
C10H11BrO3,
Methyl3-bromo-5-ethoxybenzoate,
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| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.099g/mol |
| Monoisotopic Mass | 257.989g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number