| CAS Number | 1240612-11-6 |
| Catalog Number | AG000LI1(AGN-PC-0WOQ7U) |
| Chemical Name | 4-(Chloromethyl)-5-methyl-1,3-oxazole |
| IUPAC Name | 4-(chloromethyl)-5-methyl-1,3-oxazole |
| InChI | InChI=1S/C5H6ClNO/c1-4-5(2-6)7-3-8-4/h3H,2H2,1H3 |
| InChI Key | AIDJHZCWQZOCHV-UHFFFAOYSA-N |
| MDL Number | MFCD16989275 |
| Molecular Formula | C5H6ClNO |
| Molecular Weight | 131.5602 |
| SMILES | CC1=C(CCl)N=CO1 |
| Synonyms | 4-(chloromethyl)-5-methyl-1,3-oxazole,
1240612-11-6,
4-(CHLOROMETHYL)-5-METHYLOXAZOLE,
SCHEMBL11361086,
ZINC85942809,
AKOS017696142,
Oxazole, 4-(chloromethyl)-5-methyl-,
AB71571,
NE49094,
SC-82733,
SY147182,
MFCD16989275 (95%),
F1905-0033,
|
| Complexity | 78.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 131.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 131.559g/mol |
| Monoisotopic Mass | 131.014g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
|
Hazard Class
|
8
|
|
Hazard statements
|
H302-H315-H318-H335
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501
|
|
UN Code
|
UN 1760
|
Certificate of Analysis
Lot Number