| CAS Number | 20608-82-6 |
| Catalog Number | AG002AJ1(AGN-PC-09RR1S) |
| Chemical Name | 2-(2-Bromo-phenyl)-succinic acid |
| IUPAC Name | 2-(2-bromophenyl)butanedioic acid |
| InChI | InChI=1S/C10H9BrO4/c11-8-4-2-1-3-6(8)7(10(14)15)5-9(12)13/h1-4,7H,5H2,(H,12,13)(H,14,15) |
| InChI Key | ZYVUHPNGZXZEFZ-UHFFFAOYSA-N |
| MDL Number | MFCD06658382 |
| Molecular Formula | C10H9BrO4 |
| Molecular Weight | 273.0801 |
| SMILES | OC(CC(C1=C(Br)C=CC=C1)C(O)=O)=O |
| Synonyms | 2-(2-bromophenyl)succinic acid,
20608-82-6,
2-(2-BROMO-PHENYL)-SUCCINIC ACID,
2-(2-bromophenyl)butanedioic acid,
Butanedioic acid,2-(2-bromophenyl)-,
CTK4E4659,
DTXSID80695852,
4757AH,
AB1262,
MFCD06658382,
AKOS024258351,
Butanedioic acid, 2-(2-bromophenyl)-,
AX8027996,
A-7403,
A814744,
J-505558,
C10H9BrO4,
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| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.968g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.082g/mol |
| Monoisotopic Mass | 271.968g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 74.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number