| CAS Number | 289506-17-8 |
| Catalog Number | AG00C3HW(AGN-PC-0WQXTZ) |
| Chemical Name | 4-BROMO-2-(1H-IMIDAZOL-2-YL)-PHENOL |
| IUPAC Name | 4-bromo-2-(1H-imidazol-2-yl)phenol |
| InChI | InChI=1S/C9H7BrN2O/c10-6-1-2-8(13)7(5-6)9-11-3-4-12-9/h1-5,13H,(H,11,12) |
| InChI Key | BZCSFHRLFIGHOR-UHFFFAOYSA-N |
| MDL Number | MFCD08668760 |
| Molecular Formula | C9H7BrN2O |
| Molecular Weight | 239.0687 |
| SMILES | C1=CC(=C(C=C1Br)C2=NC=CN2)O |
| Synonyms | 4-BROMO-2-(1H-IMIDAZOL-2-YL)PHENOL,
289506-17-8,
SCHEMBL14764328,
DTXSID50440790,
BZCSFHRLFIGHOR-UHFFFAOYSA-N,
MFCD08668760,
ZINC38953899,
AS-41797,
Phenol, 4-bromo-2-(1H-imidazol-2-yl)-,
FT-0703354,
4-BROMO-2-(1H-IMIDAZOL-2-YL)-PHENOL,
CID10490156,
4-bromo-6-(1,3-dihydroimidazol-2-ylidene)cyclohexa-2,4-dien-1-one,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.072g/mol |
| Monoisotopic Mass | 237.974g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 48.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number