| CAS Number | 125418-96-4 |
| Catalog Number | AG000NOJ(AGN-PC-0WCYA6) |
| Chemical Name | (4-Chloro-2-formyl-phenoxy)-acetonitrile |
| IUPAC Name | 2-(4-chloro-2-formylphenoxy)acetonitrile |
| InChI | InChI=1S/C9H6ClNO2/c10-8-1-2-9(13-4-3-11)7(5-8)6-12/h1-2,5-6H,4H2 |
| InChI Key | PWSUNQQOAPKBKK-UHFFFAOYSA-N |
| MDL Number | MFCD07431460 |
| Molecular Formula | C9H6ClNO2 |
| Molecular Weight | 195.6024 |
| SMILES | ClC1=CC=C(OCC#N)C(C=O)=C1 |
| Synonyms | 2-(4-chloro-2-formylphenoxy)acetonitrile,
125418-96-4,
(4-CHLORO-2-FORMYLPHENOXY)ACETONITRILE,
(4-chloro-2-formyl-phenoxy)-acetonitrile,
Acetonitrile, 2-(4-chloro-2-formylphenoxy)-,
AC1NHL0I,
SCHEMBL2422003,
PWSUNQQOAPKBKK-UHFFFAOYSA-N,
MFCD07431460,
ZINC20198625,
AKOS000287283,
AS-37494,
X-3849,
CID4767035,
2-(4-chloro-2-formyl-phenoxy)acetonitrile,
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| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.602g/mol |
| Monoisotopic Mass | 195.009g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 50.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number