| CAS Number | 87736-89-8 |
| Catalog Number | AG00GWJM(AGN-PC-00KP9T) |
| Chemical Name | 4-[3-(Trifluoromethyl)diazirin-3-yl]benzoic Acid N-Hydroxysuccinimide Ester |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 4-[3-(trifluoromethyl)diazirin-3-yl]benzoate |
| InChI | InChI=1S/C13H8F3N3O4/c14-13(15,16)12(17-18-12)8-3-1-7(2-4-8)11(22)23-19-9(20)5-6-10(19)21/h1-4H,5-6H2 |
| InChI Key | INRPFQHJCXWTGK-UHFFFAOYSA-N |
| MDL Number | MFCD01075064 |
| Molecular Formula | C13H8F3N3O4 |
| Molecular Weight | 327.2155 |
| SMILES | c1cc(ccc1C(=O)ON2C(=O)CCC2=O)C3(N=N3)C(F)(F)F |
| Synonyms | 87736-89-8,
4-[3-(Trifluoromethyl)diazirin-3-yl]benzoic Acid N-Hydroxysuccinimide Ester,
SCHEMBL4292619,
DTXSID30516861,
ZINC72400664,
FT-0675533,
4-[3-(Trifluoromethyl)-3H-diazirine-3-yl]benzoic acid succinimidyl ester,
1-({4-[3-(Trifluoromethyl)-3H-diaziren-3-yl]benzoyl}oxy)pyrrolidine-2,5-dione,
1-[[4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzoyl]oxy-2,5-pyrrolidinedione,
INRPFQHJCXWTGK-UHFFFAOYSA-N,
4-[3- diazirin-3-yl]benzoicAcidN-HydroxysuccinimideEster,
Benzoic acid, 4-[3-(trifluoromethyl)-3H-diazirin-3-yl]-, 2,5-dioxo-1-pyrrolidinyl ester,
|
| Complexity | 560 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 327.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 327.219g/mol |
| Monoisotopic Mass | 327.047g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 88.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number