| CAS Number | 1340340-45-5 |
| Catalog Number | AG01A288 |
| Chemical Name | 3-chloro-N-(2,2-dimethoxyethyl)aniline |
| IUPAC Name | 3-chloro-N-(2,2-dimethoxyethyl)aniline |
| InChI | InChI=1S/C10H14ClNO2/c1-13-10(14-2)7-12-9-5-3-4-8(11)6-9/h3-6,10,12H,7H2,1-2H3 |
| InChI Key | NEWOFKMBVRJISN-UHFFFAOYSA-N |
| MDL Number | MFCD18865390 |
| Molecular Formula | C10H14ClNO2 |
| Molecular Weight | 215.6767 |
| SMILES | COC(OC)CNC1=CC(Cl)=CC=C1 |
| Synonyms | 3-chloro-N-(2,2-dimethoxyethyl)aniline,
1340340-45-5,
ZINC82534366,
AKOS012997802,
NE31179,
|
| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.677g/mol |
| Monoisotopic Mass | 215.071g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number