| CAS Number | 816463-36-2 |
| Catalog Number | AG00GAGK(AGN-PC-0WG455) |
| Chemical Name | 4-((3-Methyloxetan-3-yl)methoxy)-2-nitroaniline |
| IUPAC Name | 4-[(3-methyloxetan-3-yl)methoxy]-2-nitroaniline |
| InChI | InChI=1S/C11H14N2O4/c1-11(5-16-6-11)7-17-8-2-3-9(12)10(4-8)13(14)15/h2-4H,5-7,12H2,1H3 |
| InChI Key | XQYDJANMTIYABZ-UHFFFAOYSA-N |
| MDL Number | MFCD28502385 |
| Molecular Formula | C11H14N2O4 |
| Molecular Weight | 238.2399 |
| SMILES | CC1(COC1)COC2=CC(=C(C=C2)N)[N+](=O)[O-] |
| Synonyms | 816463-36-2,
4-((3-Methyloxetan-3-yl)methoxy)-2-nitroaniline,
SCHEMBL376065,
XQYDJANMTIYABZ-UHFFFAOYSA-N,
MFCD28502385,
ZINC113692704,
SB17900,
SY127476,
MFCD28502385 (95%),
4-[(3-Methyl-3-oxetanyl)methoxy]-2-nitroaniline,
4-(3-Methyl-oxetan-3-ylmethoxy)-2-nitro-phenylamine,
Benzenamine, 4-[(3-methyl-3-oxetanyl)methoxy]-2-nitro-,
4-[(3-methyloxetan-3-yl)methoxy]-2-nitroaniline,
|
| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.243g/mol |
| Monoisotopic Mass | 238.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 90.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number