| CAS Number | 21120-75-2 |
| Catalog Number | AG002L7M(AGN-PC-0WD3TU) |
| Chemical Name | 4-(4-Bromo-phenoxy)-benzoic acid methyl ester |
| IUPAC Name | methyl 4-(4-bromophenoxy)benzoate |
| InChI | InChI=1S/C14H11BrO3/c1-17-14(16)10-2-6-12(7-3-10)18-13-8-4-11(15)5-9-13/h2-9H,1H3 |
| InChI Key | GVUFCGJTPGPJRO-UHFFFAOYSA-N |
| MDL Number | MFCD09030697 |
| Molecular Formula | C14H11BrO3 |
| Molecular Weight | 307.1393 |
| SMILES | C1=C(Br)C=CC(OC2C=CC(C(OC)=O)=CC=2)=C1 |
| Synonyms | Methyl 4-(4-Bromophenoxy)benzoate,
21120-75-2,
4-(4-Bromo-phenoxy)-benzoic acid methyl ester,
SCHEMBL6132139,
CTK6J0071,
DTXSID90570308,
methyl-4-(4-bromophenoxy)benzoate,
7394AH,
MFCD09030697,
ZINC15442699,
AKOS002679789,
AJ-67417,
AX8281901,
4-(4-bromophenoxy)benzoic acid methyl ester,
K-6085,
Benzoic acid, 4-(4-bromophenoxy)-, methyl ester,
C14H11BrO3,
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| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.143g/mol |
| Monoisotopic Mass | 305.989g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number