| CAS Number | 219589-42-1 |
| Catalog Number | AG00I49M(AGN-PC-0A6146) |
| Chemical Name | Benzenemethanol, 3-iodo-5-nitro- |
| IUPAC Name | (3-iodo-5-nitrophenyl)methanol |
| InChI | InChI=1S/C7H6INO3/c8-6-1-5(4-10)2-7(3-6)9(11)12/h1-3,10H,4H2 |
| InChI Key | UQEGCABWCVSZPO-UHFFFAOYSA-N |
| MDL Number | MFCD18397990 |
| Molecular Formula | C7H6INO3 |
| Molecular Weight | 279.0319 |
| SMILES | IC=1C=C(C=C(C1)[N+](=O)[O-])CO |
| Synonyms | (3-IODO-5-NITROPHENYL)METHANOL,
219589-42-1,
3-iodo-5-nitrobenzyl alcohol,
3-iodo-5-nitroBenzenemethanol,
3-Nitro-5-iodobenzyl alcohol,
SCHEMBL8019517,
UQEGCABWCVSZPO-UHFFFAOYSA-N,
Benzenemethanol, 3-iodo-5-nitro-,
MFCD18397990,
ZINC91692398,
AKOS027252639,
AS-38824,
DA-08079,
FT-0753626,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.939g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.033g/mol |
| Monoisotopic Mass | 278.939g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number