| CAS Number | 1557849-73-6 |
| Catalog Number | AG00AS28(AGN-PC-0WR28L) |
| Chemical Name | 3-Chloro-2,5-difluorobenzyl amine |
| IUPAC Name | (3-chloro-2,5-difluorophenyl)methanamine |
| InChI | InChI=1S/C7H6ClF2N/c8-6-2-5(9)1-4(3-11)7(6)10/h1-2H,3,11H2 |
| InChI Key | HLAHKRGVUNUSOY-UHFFFAOYSA-N |
| MDL Number | MFCD24539383 |
| Molecular Formula | C7H6ClF2N |
| Molecular Weight | 177.5790 |
| SMILES | NCC1=CC(F)=CC(Cl)=C1F |
| Synonyms | 3-Chloro-2,5-difluorobenzyl amine,
1557849-73-6,
3-Chloro-2,5-difluorobenzylamine,
(3-Chloro-2,5-difluorophenyl)methanamine,
MFCD24539383,
ZINC108369140,
AS06017,
CM13519,
AS-33199,
CS-0061674,
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| Complexity | 134 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.579g/mol |
| Monoisotopic Mass | 177.016g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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