| CAS Number | 864377-28-6 |
| Catalog Number | AG00H08J(AGN-PC-0CNV1A) |
| Chemical Name | 4-(3-Bromophenyl)-2,6-diphenylpyrimidine |
| IUPAC Name | 4-(3-bromophenyl)-2,6-diphenylpyrimidine |
| InChI | InChI=1S/C22H15BrN2/c23-19-13-7-12-18(14-19)21-15-20(16-8-3-1-4-9-16)24-22(25-21)17-10-5-2-6-11-17/h1-15H |
| InChI Key | BPMSGKUGXMWVBH-UHFFFAOYSA-N |
| MDL Number | MFCD28962150 |
| Molecular Formula | C22H15BrN2 |
| Molecular Weight | 387.2719 |
| SMILES | BrC1=CC(C2=NC(C3=CC=CC=C3)=NC(C4=CC=CC=C4)=C2)=CC=C1 |
| Synonyms | 4-(3-Bromophenyl)-2,6-diphenylpyrimidine,
864377-28-6,
Pyrimidine, 4-(3-romophenyl)-2,6-iphenyl-,
SCHEMBL8736553,
BPMSGKUGXMWVBH-UHFFFAOYSA-N,
MFCD28962150,
AKOS027253027,
ZINC145546314,
AK202393,
DS-10301,
CS-0060505,
FT-0755390,
B4930,
|
| Complexity | 403 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 386.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 387.28g/mol |
| Monoisotopic Mass | 386.042g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.9 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
\N
|
|
Hazard statements
|
H315-H319
|
|
Packing Group
|
\N
|
|
Precautionary statements
|
P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
|
|
UN Code
|
\N
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Certificate of Analysis
Lot Number