| CAS Number | 1240529-10-5 |
| Catalog Number | AG000LGL(AGN-PC-0WNOKP) |
| Chemical Name | Cyclohexanecarboxylic acid, 1-amino-4,4-difluoro- |
| IUPAC Name | 1-amino-4,4-difluorocyclohexane-1-carboxylic acid |
| InChI | InChI=1S/C7H11F2NO2/c8-7(9)3-1-6(10,2-4-7)5(11)12/h1-4,10H2,(H,11,12) |
| InChI Key | QKHFDEBCLOAUQX-UHFFFAOYSA-N |
| MDL Number | MFCD16547765 |
| Molecular Formula | C7H11F2NO2 |
| Molecular Weight | 179.1645 |
| SMILES | O=C(C1(N)CCC(F)(F)CC1)O |
| Synonyms | 1-amino-4,4-difluorocyclohexane-1-carboxylic acid,
1240529-10-5,
1-AMINO-4,4-DIFLUOROCYCLOHEXANECARBOXYLIC ACID,
AC1Q50FY,
SCHEMBL12479486,
QKHFDEBCLOAUQX-UHFFFAOYSA-N,
MFCD16547765,
ZINC47845123,
AKOS024127059,
AB70846,
AS-41501,
SC-73582,
CS-0029770,
EN300-89432,
X-3075,
Cyclohexanecarboxylic acid, 1-amino-4,4-difluoro-,
F8887-4110,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.167g/mol |
| Monoisotopic Mass | 179.076g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number