| CAS Number | 111986-67-5 |
| Catalog Number | AG008S28(AGN-PC-0KVWVG) |
| Chemical Name | 3-[(5-Bromopyrimidin-2-yl)oxy]aniline |
| IUPAC Name | 3-(5-bromopyrimidin-2-yl)oxyaniline |
| InChI | InChI=1S/C10H8BrN3O/c11-7-5-13-10(14-6-7)15-9-3-1-2-8(12)4-9/h1-6H,12H2 |
| InChI Key | FPUBXWSYDNKOQY-UHFFFAOYSA-N |
| MDL Number | MFCD03646355 |
| Molecular Formula | C10H8BrN3O |
| Molecular Weight | 266.0940 |
| SMILES | NC1=CC(OC2=NC=C(Br)C=N2)=CC=C1 |
| Synonyms | 3-[(5-Bromopyrimidin-2-yl)oxy]aniline,
111986-67-5,
3-((5-Bromopyrimidin-2-yl)oxy)aniline,
3-(5-bromopyrimidin-2-yl)oxyaniline,
AC1MS151,
CTK5I8942,
KS-00003TRC,
ZINC1497350,
SBB054506,
AKOS013185719,
MCULE-9539865581,
NE34744,
3-(5-bromopyrimidin-2-yloxy)phenylamine,
AJ-26402,
TS-03493,
Z1474026100,
CID3527022,
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| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.098g/mol |
| Monoisotopic Mass | 264.985g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number