| CAS Number | 1184107-87-6 |
| Catalog Number | AG01AA8F |
| Chemical Name | {[4-Bromo-2-(trifluoromethyl)phenyl]carbamoyl}formic acid |
| IUPAC Name | 2-[4-bromo-2-(trifluoromethyl)anilino]-2-oxoacetic acid |
| InChI | InChI=1S/C9H5BrF3NO3/c10-4-1-2-6(14-7(15)8(16)17)5(3-4)9(11,12)13/h1-3H,(H,14,15)(H,16,17) |
| InChI Key | VDDIGBZRXATBOE-UHFFFAOYSA-N |
| MDL Number | MFCD12722604 |
| Molecular Formula | C9H5BrF3NO3 |
| Molecular Weight | 312.0401 |
| SMILES | OC(C(NC1=C(C(F)(F)F)C=C(Br)C=C1)=O)=O |
| Synonyms | {[4-bromo-2-(trifluoromethyl)phenyl]carbamoyl}formic acid,
1184107-87-6,
AC1Q71MW,
ZINC37518989,
AKOS010006593,
MCULE-3215059834,
NE59664,
EN300-67445,
Z1270387184,
|
| Complexity | 321 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 310.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.042g/mol |
| Monoisotopic Mass | 310.94g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number