| CAS Number | 924867-88-9 |
| Catalog Number | AG00GUQD(AGN-PC-06VKWC) |
| Chemical Name | methyl 2-bromo-5-sulfamoylbenzoate |
| IUPAC Name | methyl 2-bromo-5-sulfamoylbenzoate |
| InChI | InChI=1S/C8H8BrNO4S/c1-14-8(11)6-4-5(15(10,12)13)2-3-7(6)9/h2-4H,1H3,(H2,10,12,13) |
| InChI Key | IQWBSPAOUYKERV-UHFFFAOYSA-N |
| MDL Number | MFCD11057846 |
| Molecular Formula | C8H8BrNO4S |
| Molecular Weight | 294.1224 |
| SMILES | O=C(OC)C1=CC(S(=O)(N)=O)=CC=C1Br |
| Synonyms | METHYL 2-BROMO-5-SULFAMOYLBENZOATE,
924867-88-9,
PubChem19339,
SCHEMBL16790372,
CTK8E1874,
6950AJ,
MFCD11057846,
ZINC47822273,
AKOS002670983,
BC004436,
SY008681,
AJ-110864,
DB-079308,
TC-308437,
CS-0061814,
FT-0733219,
MFCD11057846 (97+%),
I01-10112,
F2126-0051,
C8H8BrNO4S,
4467-06-5,
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| Complexity | 337 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.936g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.119g/mol |
| Monoisotopic Mass | 292.936g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 94.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number