| CAS Number | 64755-47-1 |
| Catalog Number | AG00EARG(AGN-PC-0TDQI5) |
| Chemical Name | Sodium 4-Bromophenylmethanesulfonate |
| IUPAC Name | sodium;(4-bromophenyl)methanesulfonate |
| InChI | InChI=1S/C7H7BrO3S.Na/c8-7-3-1-6(2-4-7)5-12(9,10)11;/h1-4H,5H2,(H,9,10,11);/q;+1/p-1 |
| InChI Key | KSRAEFLKOUHQDU-UHFFFAOYSA-M |
| MDL Number | MFCD11113780 |
| Molecular Formula | C7H6BrNaO3S |
| Molecular Weight | 273.0795 |
| SMILES | O=S(CC1=CC=C(Br)C=C1)([O-])=O.[Na+] |
| Synonyms | 64755-47-1,
SODIUM 4-BROMOPHENYLMETHANESULFONATE,
Sodium (4-bromophenyl)methanesulfonate,
SCHEMBL9000871,
CTK5C1678,
DTXSID50695167,
MFCD11113780,
Sodium (4-bromo-phenyl)-methanesulfonate,
AB0077443,
AX8151335,
A-2230,
Benzenemethanesulfonicacid, 4-bromo-, sodium salt (1:1),
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| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.912g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.076g/mol |
| Monoisotopic Mass | 271.912g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 65.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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