| CAS Number | 898805-58-8 |
| Catalog Number | AG00IFV9(AGN-PC-0WCBAJ) |
| Chemical Name | 2-Chloro-N-(3-fluorophenyl)pyrimidin-4-amine |
| IUPAC Name | 2-chloro-N-(3-fluorophenyl)pyrimidin-4-amine |
| InChI | InChI=1S/C10H7ClFN3/c11-10-13-5-4-9(15-10)14-8-3-1-2-7(12)6-8/h1-6H,(H,13,14,15) |
| InChI Key | FMMZUDJUYCVRBX-UHFFFAOYSA-N |
| MDL Number | MFCD09864956 |
| Molecular Formula | C10H7ClFN3 |
| Molecular Weight | 223.6341 |
| SMILES | C1=C(NC2C=CC=C(F)C=2)N=C(N=C1)Cl |
| Synonyms | 2-Chloro-N-(3-fluorophenyl)pyrimidin-4-amine,
898805-58-8,
CTK7C2005,
MFCD09864956,
SBB054500,
ZINC20358084,
AKOS011621108,
AM805836,
CS-0036098,
(2-chloropyrimidin-4-yl)(3-fluorophenyl)amine,
N-(3-Fluorophenyl)-2-chloropyrimidine-4-amine,
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| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.635g/mol |
| Monoisotopic Mass | 223.031g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number