| CAS Number | 945950-79-8 |
| Catalog Number | AG00IIDE(AGN-PC-0WCU07) |
| Chemical Name | (1S)-4,7-DIFLUORO-2,3-DIHYDRO-1H-INDEN-1-AMINE |
| IUPAC Name | (1S)-4,7-difluoro-2,3-dihydro-1H-inden-1-amine |
| InChI | InChI=1S/C9H9F2N/c10-6-2-3-7(11)9-5(6)1-4-8(9)12/h2-3,8H,1,4,12H2/t8-/m0/s1 |
| InChI Key | MREJFNFNYNZXOJ-QMMMGPOBSA-N |
| MDL Number | MFCD07373928 |
| Molecular Formula | C9H9F2N |
| Molecular Weight | 169.1713 |
| SMILES | N[C@H]1CCC2=C(F)C=CC(F)=C12 |
| Synonyms | 945950-79-8,
(1S)-4,7-DIFLUORO-2,3-DIHYDRO-1H-INDEN-1-AMINE,
(S)-4,7-DIFLUORO-2,3-DIHYDRO-1H-INDEN-1-AMINE,
(S)-4,7-DIFLUORO-INDAN-1-YLAMINE,
SCHEMBL193672,
FCH855733,
MFCD07373928,
ZINC42405113,
AKOS027325140,
AB38327,
EBD3077126,
AS-49469,
AX8297360,
-4,7-DIFLUORO-INDAN-1-YLAMINE,
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| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.175g/mol |
| Monoisotopic Mass | 169.07g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number