| CAS Number | 76464-51-2 |
| Catalog Number | AG005XW3(AGN-PC-0WD0W1) |
| Chemical Name | 1-Chloro-2-isopropoxy-4-nitrobenzene |
| IUPAC Name | 1-chloro-4-nitro-2-propan-2-yloxybenzene |
| InChI | InChI=1S/C9H10ClNO3/c1-6(2)14-9-5-7(11(12)13)3-4-8(9)10/h3-6H,1-2H3 |
| InChI Key | QKZLSNHQKFSBBJ-UHFFFAOYSA-N |
| MDL Number | MFCD21333105 |
| Molecular Formula | C9H10ClNO3 |
| Molecular Weight | 215.6336 |
| SMILES | CC(Oc1cc(ccc1Cl)[N+](=O)[O-])C |
| Synonyms | 1-Chloro-2-isopropoxy-4-nitrobenzene,
76464-51-2,
ACMC-209p3k,
SCHEMBL2910419,
CTK8B2294,
DTXSID60512215,
QKZLSNHQKFSBBJ-UHFFFAOYSA-N,
ANW-36798,
MFCD21333105,
ZINC82046443,
AKOS016001055,
AJ-124140,
TC-125543,
ST24021290,
V7665,
1-chloro-4-nitro-2-(propan-2-yloxy)benzene,
B-8407,
1-Chloro-4-nitro-2-[(propan-2-yl)oxy]benzene,
Benzene, 1-chloro-2-(1-methylethoxy)-4-nitro-,
C9H10ClNO3,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.633g/mol |
| Monoisotopic Mass | 215.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number