| CAS Number | 69628-98-4 |
| Catalog Number | AG005W8Z(AGN-PC-0KNX2M) |
| Chemical Name | Benzene,1-(2-methoxyethyl)-4-nitro- |
| EC Number | 274-058-2 |
| IUPAC Name | 1-(2-methoxyethyl)-4-nitrobenzene |
| InChI | InChI=1S/C9H11NO3/c1-13-7-6-8-2-4-9(5-3-8)10(11)12/h2-5H,6-7H2,1H3 |
| InChI Key | VZUJQBDFJZRCBQ-UHFFFAOYSA-N |
| MDL Number | MFCD00634283 |
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.1885 |
| SMILES | O=[N+](C1=CC=C(CCOC)C=C1)[O-] |
| Synonyms | 1-(2-Methoxyethyl)-4-nitrobenzene,
69628-98-4,
Benzene,1-(2-methoxyethyl)-4-nitro-,
EINECS 274-058-2,
AC1MI5NK,
SCHEMBL4985766,
SCHEMBL4985770,
CTK5D0649,
MFCD00634283,
ZINC33605701,
AKOS015996992,
AJ-86220,
1- -4-NITROBENZENE,
C9-H11-N-O3,
CID3017948,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.191g/mol |
| Monoisotopic Mass | 181.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number