| CAS Number | 80199-02-6 |
| Catalog Number | AG01BCHZ(AGN-PC-01YZ9N) |
| Chemical Name | 2-(4-Amino-3-chlorophenyl)acetonitrile |
| IUPAC Name | 2-(4-amino-3-chlorophenyl)acetonitrile |
| InChI | InChI=1S/C8H7ClN2/c9-7-5-6(3-4-10)1-2-8(7)11/h1-2,5H,3,11H2 |
| InChI Key | UJOMOYNESLBIEW-UHFFFAOYSA-N |
| MDL Number | MFCD18389516 |
| Molecular Formula | C8H7ClN2 |
| Molecular Weight | 166.6076 |
| SMILES | N#CCC1=CC=C(N)C(Cl)=C1 |
| Synonyms | 2-(4-Amino-3-chlorophenyl)acetonitrile,
80199-02-6,
SCHEMBL4711611,
UJOMOYNESLBIEW-UHFFFAOYSA-N,
ZINC59672979,
AKOS027259513,
(4-Amino-3-chloro-phenyl)-acetonitrile,
Z2218556171,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.608g/mol |
| Monoisotopic Mass | 166.03g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number