| CAS Number | 60541-89-1 |
| Catalog Number | AG00ELWI(AGN-PC-0H5FT3) |
| Chemical Name | 5-Bromo-2-methoxy-3-nitrobenzoic acid |
| IUPAC Name | 5-bromo-2-methoxy-3-nitrobenzoic acid |
| InChI | InChI=1S/C8H6BrNO5/c1-15-7-5(8(11)12)2-4(9)3-6(7)10(13)14/h2-3H,1H3,(H,11,12) |
| InChI Key | UYAFJWNETZAGDU-UHFFFAOYSA-N |
| MDL Number | MFCD23701717 |
| Molecular Formula | C8H6BrNO5 |
| Molecular Weight | 276.0409 |
| SMILES | COC1=C(C=C(Br)C=C1[N+]([O-])=O)C(O)=O |
| Synonyms | 5-Bromo-2-methoxy-3-nitrobenzoic acid,
60541-89-1,
SCHEMBL1708885,
CTK1J0115,
DTXSID10736489,
9036AB,
MFCD23701717,
ZINC91297254,
AKOS016010946,
5-Bromo-2-methoxy-3-nitro-benzoic acid,
PS-10473,
AJ-129346,
Benzoic acid, 5-bromo-2-methoxy-3-nitro-,
C8H6BrNO5,
5-Bromo-2-methoxy-3-nitrobenzoicacid,
|
| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.943g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.042g/mol |
| Monoisotopic Mass | 274.943g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 92.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number