| CAS Number | 76464-54-5 |
| Catalog Number | AG008Q7O(AGN-PC-00JX1S) |
| Chemical Name | Benzenamine, 4-chloro-3-(1-methylethoxy)- |
| IUPAC Name | 4-chloro-3-propan-2-yloxyaniline |
| InChI | InChI=1S/C9H12ClNO/c1-6(2)12-9-5-7(11)3-4-8(9)10/h3-6H,11H2,1-2H3 |
| InChI Key | QRZBEHUXMWTNTE-UHFFFAOYSA-N |
| MDL Number | MFCD19624982 |
| Molecular Formula | C9H12ClNO |
| Molecular Weight | 185.6507 |
| SMILES | ClC1=C(C=C(N)C=C1)OC(C)C |
| Synonyms | 4-Chloro-3-isopropoxyaniline,
76464-54-5,
Benzenamine, 4-chloro-3-(1-methylethoxy)-,
4-chloro-3-isopropoxybenzenamine,
SCHEMBL2372500,
CTK2G0620,
DTXSID20512216,
QRZBEHUXMWTNTE-UHFFFAOYSA-N,
MFCD19624982,
ZINC69635018,
AKOS013324327,
4-Chloro-3-[(propan-2-yl)oxy]aniline,
DA-03561,
Benzenamine,4-chloro-3-(1-methylethoxy)-,
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| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.651g/mol |
| Monoisotopic Mass | 185.061g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number