| CAS Number | 33682-88-1 |
| Catalog Number | AG01A5QF |
| Chemical Name | 1-(4-bromophenyl)-2-methyl-2-nitropropan-1-ol |
| IUPAC Name | 1-(4-bromophenyl)-2-methyl-2-nitropropan-1-ol |
| InChI | InChI=1S/C10H12BrNO3/c1-10(2,12(14)15)9(13)7-3-5-8(11)6-4-7/h3-6,9,13H,1-2H3 |
| InChI Key | QVLHYPHMTPDZEP-UHFFFAOYSA-N |
| MDL Number | MFCD25371614 |
| Molecular Formula | C10H12BrNO3 |
| Molecular Weight | 274.1112 |
| SMILES | CC([N+]([O-])=O)(C(C1=CC=C(Br)C=C1)O)C |
| Synonyms | 1-(4-bromophenyl)-2-methyl-2-nitropropan-1-ol,
33682-88-1,
NE38709,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.114g/mol |
| Monoisotopic Mass | 273g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number