| CAS Number | 732291-48-4 |
| Catalog Number | AG00FC5F |
| Chemical Name | 2-(4-(Methylamino)-3-nitrophenylsulfonamido)acetic acid |
| IUPAC Name | 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetic acid |
| InChI | InChI=1S/C9H11N3O6S/c1-10-7-3-2-6(4-8(7)12(15)16)19(17,18)11-5-9(13)14/h2-4,10-11H,5H2,1H3,(H,13,14) |
| InChI Key | FJXVVESVYUZPKO-UHFFFAOYSA-N |
| MDL Number | MFCD04633381 |
| Molecular Formula | C9H11N3O6S |
| Molecular Weight | 289.2651 |
| SMILES | O=C(O)CNS(=O)(C1=CC=C(NC)C([N+]([O-])=O)=C1)=O |
| Synonyms | 732291-48-4,
({[4-(methylamino)-3-nitrophenyl]sulfonyl}amino)acetic acid,
2-[4-(methylamino)-3-nitrobenzenesulfonamido]acetic acid,
2-(4-(Methylamino)-3-nitrophenylsulfonamido)acetic acid,
([[4-(methylamino)-3-nitrophenyl]sulfonyl]amino)acetic acid,
AC1NLQRJ,
AC1Q40VF,
CTK6I4851,
2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetic acid,
ZINC3887496,
AKOS027427121,
MCULE-7654525253,
NE12972,
EN300-08790,
SR-01000048873,
J-500024,
SR-01000048873-1,
Z56957434,
2-{[4-(methylamino)-3-nitrobenzene]sulfonamido}acetic acid,
CID4987903,
2-[(4-methylamino-3-nitro-phenyl)sulfonylamino]acetic Acid,
|
| Complexity | 440 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.262g/mol |
| Monoisotopic Mass | 289.037g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 150A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number