| CAS Number | 72191-59-4 |
| Catalog Number | AG00FLD5(AGN-PC-0WD0SV) |
| Chemical Name | 2-Bromo-2-(3,4-dichlorophenyl)acetic acid |
| IUPAC Name | 2-bromo-2-(3,4-dichlorophenyl)acetic acid |
| InChI | InChI=1S/C8H5BrCl2O2/c9-7(8(12)13)4-1-2-5(10)6(11)3-4/h1-3,7H,(H,12,13) |
| InChI Key | IACGHLYHQNBYMP-UHFFFAOYSA-N |
| MDL Number | MFCD23701419 |
| Molecular Formula | C8H5BrCl2O2 |
| Molecular Weight | 283.9341 |
| SMILES | OC(C(C1=CC(Cl)=C(Cl)C=C1)Br)=O |
| Synonyms | 2-Bromo-2-(3,4-dichlorophenyl)acetic acid,
72191-59-4,
SCHEMBL6788202,
CTK7I4126,
DTXSID80596779,
1205AC,
ANW-66124,
Bromo(3,4-dichlorophenyl)acetic acid,
NE26359,
TC-154869,
ALPHA-BROMO-3,4-DICHLORO PHENYL ACETIC ACID,
C8H5BrCl2O2,
2-Bromo-2-(3,4-dichlorophenyl)aceticacid,
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| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.885g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.93g/mol |
| Monoisotopic Mass | 281.885g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
Lot Number