| CAS Number | 928713-84-2 |
| Catalog Number | AG00GSD5(AGN-PC-0WB3H4) |
| Chemical Name | 2-(4-Chlorophenyl)pyrimidine-5-carbaldehyde |
| IUPAC Name | 2-(4-chlorophenyl)pyrimidine-5-carbaldehyde |
| InChI | InChI=1S/C11H7ClN2O/c12-10-3-1-9(2-4-10)11-13-5-8(7-15)6-14-11/h1-7H |
| InChI Key | BUGWBANLAMFQAX-UHFFFAOYSA-N |
| MDL Number | MFCD08753287 |
| Molecular Formula | C11H7ClN2O |
| Molecular Weight | 218.6391 |
| SMILES | C1(C2=CC=C(C=C2)Cl)=NC=C(C=N1)C=O |
| Synonyms | 2-(4-Chlorophenyl)pyrimidine-5-carbaldehyde,
928713-84-2,
ASISCHEM C63597,
SCHEMBL3538039,
CTK5H1816,
DTXSID10589775,
ZINC8731017,
MFCD08753287,
AKOS000283987,
5-formyl-2-(4-chlorophenyl)pyrimidine,
AB49041,
RP27138,
AJ-59119,
DA-18874,
FT-0724873,
Y-4736,
2-(4-CHLOROPHENYL)-5-PYRIMIDINECARBALDEHYDE,
2-(4-Chlorophenyl)pyrimidine-5-carbaldehyde, AldrichCPR,
ASISCHEMC63597,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.64g/mol |
| Monoisotopic Mass | 218.025g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
\N
|
|
Hazard statements
|
H319
|
|
Packing Group
|
\N
|
|
Precautionary statements
|
P305+P351+P338
|
|
UN Code
|
\N
|
Certificate of Analysis
Lot Number