| CAS Number | 1179140-55-6 |
| Catalog Number | AG019VJ6(AGN-PC-0WODAA) |
| Chemical Name | 3,5-Difluoro-4-(pyrrolidin-1-yl)aniline |
| IUPAC Name | 3,5-difluoro-4-pyrrolidin-1-ylaniline |
| InChI | InChI=1S/C10H12F2N2/c11-8-5-7(13)6-9(12)10(8)14-3-1-2-4-14/h5-6H,1-4,13H2 |
| InChI Key | BYXVCGIKBCSCLE-UHFFFAOYSA-N |
| MDL Number | MFCD12197200 |
| Molecular Formula | C10H12F2N2 |
| Molecular Weight | 198.2125 |
| SMILES | NC1=CC(F)=C(N2CCCC2)C(F)=C1 |
| Synonyms | 3,5-difluoro-4-(pyrrolidin-1-yl)aniline,
1179140-55-6,
AC1Q51OP,
CTK7D5850,
ZINC36379481,
AKOS010017004,
MCULE-8058120413,
NE21176,
EN300-45414,
Z600428360,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.097g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.217g/mol |
| Monoisotopic Mass | 198.097g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number