| CAS Number | 918667-28-4 |
| Catalog Number | AG00IGX7(AGN-PC-0I8BHO) |
| Chemical Name | Benzoic acid, 2-amino-6-(trifluoromethyl)-, hydrochloride (1:1) |
| IUPAC Name | 2-amino-6-(trifluoromethyl)benzoic acid;hydrochloride |
| InChI | InChI=1S/C8H6F3NO2.ClH/c9-8(10,11)4-2-1-3-5(12)6(4)7(13)14;/h1-3H,12H2,(H,13,14);1H |
| InChI Key | YGSNRIVWQPNEIT-UHFFFAOYSA-N |
| MDL Number | MFCD30729973 |
| Molecular Formula | C8H7ClF3NO2 |
| Molecular Weight | 241.5949 |
| SMILES | Cl.NC1=C(C(=O)O)C(=CC=C1)C(F)(F)F |
| Synonyms | 2-Amino-6-(trifluoromethyl)benzoic acid hydrochloride,
918667-28-4,
SCHEMBL4454152,
YGSNRIVWQPNEIT-UHFFFAOYSA-N,
KS-00000U7G,
MFCD30729973,
AKOS030524229,
AK671133,
DS-19949,
CS-0041525,
2-amino-6-trifluoromethylbenzoic acid hydrochloride,
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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 | 241.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.594g/mol |
| Monoisotopic Mass | 241.012g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number