| CAS Number | 1342004-75-4 |
| Catalog Number | AG01A3LR(AGN-PC-0WO6H1) |
| Chemical Name | [1-(2-chloro-4-fluorophenyl)cyclopropyl]methanamine |
| IUPAC Name | [1-(2-chloro-4-fluorophenyl)cyclopropyl]methanamine |
| InChI | InChI=1S/C10H11ClFN/c11-9-5-7(12)1-2-8(9)10(6-13)3-4-10/h1-2,5H,3-4,6,13H2 |
| InChI Key | SCPBZRFWVFNQHQ-UHFFFAOYSA-N |
| MDL Number | MFCD17282025 |
| Molecular Formula | C10H11ClFN |
| Molecular Weight | 199.6524 |
| SMILES | ClC1=C(C=CC(F)=C1)C2(CC2)CN |
| Synonyms | [1-(2-chloro-4-fluorophenyl)cyclopropyl]methanamine,
1342004-75-4,
1-(2-Chloro-4-fluorophenyl)cyclopropane-1-methanamine,
(1-(2-chloro-4-fluorophenyl)cyclopropyl)methanamine,
ZINC62606988,
AKOS012334593,
NE34515,
SY145488,
MFCD17282025 (95%),
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.653g/mol |
| Monoisotopic Mass | 199.056g/mol |
| Rotatable Bond Count | 2 |
| 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