| CAS Number | 1184193-54-1 |
| Catalog Number | AG00948K(AGN-PC-0WNLYQ) |
| Chemical Name | [4-(4-Bromopyrazol-1-yl)phenyl]methanol |
| IUPAC Name | [4-(4-bromopyrazol-1-yl)phenyl]methanol |
| InChI | InChI=1S/C10H9BrN2O/c11-9-5-12-13(6-9)10-3-1-8(7-14)2-4-10/h1-6,14H,7H2 |
| InChI Key | RUROEWUAPHWLCG-UHFFFAOYSA-N |
| MDL Number | MFCD12756251 |
| Molecular Formula | C10H9BrN2O |
| Molecular Weight | 253.0953 |
| SMILES | OCc1ccc(cc1)-n1cc(Br)cn1 |
| Synonyms | 1184193-54-1,
[4-(4-BROMO-1H-PYRAZOL-1-YL)PHENYL]METHANOL,
[4-(4-bromopyrazol-1-yl)phenyl]methanol,
KM5581,
MFCD12756251,
ZINC38054479,
AS-8837,
Z7909,
C10H9BrN2O,
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| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.099g/mol |
| Monoisotopic Mass | 251.99g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
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