| CAS Number | 933702-42-2 |
| Catalog Number | AG00IHKC(AGN-PC-0ALQEC) |
| Chemical Name | 6-Chloro-2-methylpyrimidine-4-carbaldehyde |
| IUPAC Name | 6-chloro-2-methylpyrimidine-4-carbaldehyde |
| InChI | InChI=1S/C6H5ClN2O/c1-4-8-5(3-10)2-6(7)9-4/h2-3H,1H3 |
| InChI Key | WRFKYSPBAWAJLX-UHFFFAOYSA-N |
| MDL Number | MFCD10697054 |
| Molecular Formula | C6H5ClN2O |
| Molecular Weight | 156.5697 |
| SMILES | CC1=NC(Cl)=CC(C=O)=N1 |
| Synonyms | 6-Chloro-2-methylpyrimidine-4-carbaldehyde,
933702-42-2,
DTXSID80717048,
5811AC,
FCH881750,
MFCD10697054,
RW3276,
ZINC91301423,
AKOS006303881,
AB58880,
QC-1998,
AM807139,
AS-37503,
AJ-129654,
AX8247606,
6-CHLORO-2-METHYL-4-PYRIMIDINECARBOXALDEHYDE,
C6H5ClN2O,
|
| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.569g/mol |
| Monoisotopic Mass | 156.009g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
\N
|
|
Hazard statements
|
H302
|
|
Packing Group
|
\N
|
|
Precautionary statements
|
P280-P305+P351+P338
|
|
UN Code
|
\N
|
Certificate of Analysis
Lot Number