| CAS Number | 1499926-64-5 |
| Catalog Number | AG01BNO8 |
| Chemical Name | 6-Bromo-3-chloro-2-fluorobenzylamine |
| IUPAC Name | (6-bromo-3-chloro-2-fluorophenyl)methanamine |
| InChI | InChI=1S/C7H6BrClFN/c8-5-1-2-6(9)7(10)4(5)3-11/h1-2H,3,11H2 |
| InChI Key | SXVGXCQGKFGXJD-UHFFFAOYSA-N |
| MDL Number | MFCD28096624 |
| Molecular Formula | C7H6BrClFN |
| Molecular Weight | 238.4846 |
| SMILES | NCC1=C(Br)C=CC(Cl)=C1F |
| Synonyms | 6-Bromo-3-chloro-2-fluorobenzylamine,
1499926-64-5,
(6-bromo-3-chloro-2-fluorophenyl)methanamine,
MFCD28096624,
ZINC75915311,
FCH2571849,
PC48561,
PS-10151,
AS-813/43501973,
(6-BROMO-3-CHLORO-3-FLUOROPHENYL)METHYLAMINE,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.936g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.484g/mol |
| Monoisotopic Mass | 236.936g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number