| CAS Number | 581813-20-9 |
| Catalog Number | AG00EJVT(AGN-PC-03O8UZ) |
| Chemical Name | (2-Chloro-4-(trifluoromethyl)phenyl)methanamine |
| IUPAC Name | [2-chloro-4-(trifluoromethyl)phenyl]methanamine |
| InChI | InChI=1S/C8H7ClF3N/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-3H,4,13H2 |
| InChI Key | ODSDBUOMHSEMBS-UHFFFAOYSA-N |
| MDL Number | MFCD06212820 |
| Molecular Formula | C8H7ClF3N |
| Molecular Weight | 209.5961 |
| SMILES | NCC1=C(Cl)C=C(C(F)(F)F)C=C1 |
| Synonyms | 581813-20-9,
(2-Chloro-4-(trifluoromethyl)phenyl)methanamine,
2-Chloro-4-trifluoromethylbenzylamine,
2-Chloro-4-(trifluoromethyl)benzylamine,
[2-chloro-4-(trifluoromethyl)phenyl]methanamine,
SCHEMBL963581,
DTXSID80624945,
ODSDBUOMHSEMBS-UHFFFAOYSA-N,
8614AB,
ZINC39957272,
2-chloro-4-trifluoromethyl-benzylamine,
AKOS016011646,
FS-5654,
RP26520,
AJ-101453,
1-[2-Chloro-4-(trifluoromethyl)phenyl]methanamine,
J-508703,
(2-?Chloro-?4-?(trifluoromethyl)?phenyl)?methanamine,
C8H7ClF3N,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.596g/mol |
| Monoisotopic Mass | 209.022g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number