| CAS Number | 66931-55-3 |
| Catalog Number | AG019JH3(AGN-PC-0KHDVB) |
| Chemical Name | 2-{[(4-Chlorophenyl)methoxy]methyl}oxirane |
| IUPAC Name | 2-[(4-chlorophenyl)methoxymethyl]oxirane |
| InChI | InChI=1S/C10H11ClO2/c11-9-3-1-8(2-4-9)5-12-6-10-7-13-10/h1-4,10H,5-7H2 |
| InChI Key | ZDNBCVOWXDVDPK-UHFFFAOYSA-N |
| MDL Number | MFCD06357333 |
| Molecular Formula | C10H11ClO2 |
| Molecular Weight | 198.6461 |
| SMILES | ClC1=CC=C(COCC2OC2)C=C1 |
| Synonyms | 2-{[(4-chlorophenyl)methoxy]methyl}oxirane,
66931-55-3,
2-{[(4-chlorobenzyl)oxy]methyl}oxirane,
AC1MRV1P,
AC1Q3JJT,
SCHEMBL6631882,
CTK6H0232,
AKOS000117705,
AKOS016874463,
MCULE-2069290251,
NE35245,
2-[(4-chlorophenyl)methoxymethyl]oxirane,
EN300-09426,
ZINC03389524,
CID3474424,
2-([(4-chlorobenzyl)oxy]methyl)oxirane,
|
| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.646g/mol |
| Monoisotopic Mass | 198.045g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 21.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number