| CAS Number | 1082040-47-8 |
| Catalog Number | AG00HB3C(AGN-PC-09SIZP) |
| Chemical Name | (2-Bromo-4-Chloro-6-Nitrophenyl)Acetic Acid |
| IUPAC Name | 2-(2-bromo-4-chloro-6-nitrophenyl)acetic acid |
| InChI | InChI=1S/C8H5BrClNO4/c9-6-1-4(10)2-7(11(14)15)5(6)3-8(12)13/h1-2H,3H2,(H,12,13) |
| InChI Key | IECUBBSXMVGZTH-UHFFFAOYSA-N |
| MDL Number | MFCD11845449 |
| Molecular Formula | C8H5BrClNO4 |
| Molecular Weight | 294.4866 |
| SMILES | OC(=O)Cc1c(Br)cc(cc1[N+](=O)[O-])Cl |
| Synonyms | 1082040-47-8,
(2-Bromo-4-chloro-6-nitrophenyl)acetic acid,
2-(2-bromo-4-chloro-6-nitrophenyl)acetic acid,
(2-Bromo-4-chloro-6-nitro-phenyl)-acetic acid,
5182AJ,
ZINC43220637,
AKOS025404063,
SY030684,
MFCD11845449 (95%),
W-1289,
C8H5BrClNO4,
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| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.909g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.485g/mol |
| Monoisotopic Mass | 292.909g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number