| CAS Number | 65977-12-0 |
| Catalog Number | AG00FC0E(AGN-PC-03H6S5) |
| Chemical Name | Methyl ester 3-broMo-2,6-diMethoxy-Benzoicacid |
| IUPAC Name | methyl 3-bromo-2,6-dimethoxybenzoate |
| InChI | InChI=1S/C10H11BrO4/c1-13-7-5-4-6(11)9(14-2)8(7)10(12)15-3/h4-5H,1-3H3 |
| InChI Key | IYVSXIFYVRNTDY-UHFFFAOYSA-N |
| MDL Number | MFCD11870184 |
| Molecular Formula | C10H11BrO4 |
| Molecular Weight | 275.0959 |
| SMILES | BrC=1C(=C(C(=O)OC)C(=CC1)OC)OC |
| Synonyms | methyl 3-bromo-2,6-dimethoxybenzoate,
65977-12-0,
SCHEMBL4599128,
IYVSXIFYVRNTDY-UHFFFAOYSA-N,
CS-M1913,
3826AH,
MFCD11870184,
ZINC89065549,
AKOS017561358,
AJ-128274,
ST24047802,
Methyl ester 3-broMo-2,6-diMethoxy-Benzoicacid,
BENZOICACID, 3-BROMO-2,6-DIMETHOXY-, METHYL ESTER,
C10H11BrO4,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.098g/mol |
| Monoisotopic Mass | 273.984g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 44.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number