| CAS Number | 210354-17-9 |
| Catalog Number | AG00BD7A(AGN-PC-03NDSM) |
| Chemical Name | 4-(Pyrimidin-2-yl)bromobenzene |
| IUPAC Name | 2-(4-bromophenyl)pyrimidine |
| InChI | InChI=1S/C10H7BrN2/c11-9-4-2-8(3-5-9)10-12-6-1-7-13-10/h1-7H |
| InChI Key | PFLPZHPQFNFTRF-UHFFFAOYSA-N |
| MDL Number | MFCD08056329 |
| Molecular Formula | C10H7BrN2 |
| Molecular Weight | 235.0800 |
| SMILES | BrC1=CC=C(C=C1)C1=NC=CC=N1 |
| Synonyms | 2-(4-Bromophenyl)pyrimidine,
210354-17-9,
4-(Pyrimidin-2-yl)bromobenzene,
2-(4-bromo-phenyl)pyrimidine,
SCHEMBL1000179,
CTK5I7352,
PFLPZHPQFNFTRF-UHFFFAOYSA-N,
Pyrimidine, 2-(4-bromophenyl)-,
KS-00003TO3,
ZX-AT021621,
7144AD,
MFCD08056329,
OR6403,
SBB054159,
ZINC16124746,
AKOS022533423,
FCH1386182,
TS-03312,
C10H7BrN2,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.084g/mol |
| Monoisotopic Mass | 233.979g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
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\N
|
|
Hazard statements
|
H315-H319-H335
|
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Packing Group
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\N
|
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Precautionary statements
|
P264-P302+P352-P304+P340-P305+P351+P338-P332+P313-P337+P313
|
|
UN Code
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\N
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Certificate of Analysis
Lot Number