| CAS Number | 136996-42-4 |
| Catalog Number | AG00HUS5(AGN-PC-0WBPAC) |
| Chemical Name | 3-[(3-Chlorobenzyl)oxy]benzoyl chloride |
| IUPAC Name | 3-[(3-chlorophenyl)methoxy]benzoyl chloride |
| InChI | InChI=1S/C14H10Cl2O2/c15-12-5-1-3-10(7-12)9-18-13-6-2-4-11(8-13)14(16)17/h1-8H,9H2 |
| InChI Key | LKBYYJJQHIUMPH-UHFFFAOYSA-N |
| MDL Number | MFCD12197924 |
| Molecular Formula | C14H10Cl2O2 |
| Molecular Weight | 281.1340 |
| SMILES | C1=C(OCC2=CC=CC(Cl)=C2)C=C(C(=O)Cl)C=C1 |
| Synonyms | 3-[(3-CHLOROBENZYL)OXY]BENZOYL CHLORIDE,
136996-42-4,
3-((3-Chlorobenzyl)oxy)benzoyl chloride,
ALBB-011417,
ZX-AN010234,
BBL037089,
MFCD12197924,
STL508772,
ZINC40451467,
AKOS005173203,
3-[(3-chlorophenyl)methoxy]benzoyl chloride,
benzoyl chloride, 3-[(3-chlorophenyl)methoxy]-,
T2925,
|
| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.132g/mol |
| Monoisotopic Mass | 280.006g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number