| CAS Number | 1609399-74-7 |
| Catalog Number | AG00J1RB |
| Chemical Name | (3-chloro-2-isopropoxyphenyl)amine hydrochloride |
| IUPAC Name | 3-chloro-2-propan-2-yloxyaniline;hydrochloride |
| InChI | InChI=1S/C9H12ClNO.ClH/c1-6(2)12-9-7(10)4-3-5-8(9)11;/h3-6H,11H2,1-2H3;1H |
| InChI Key | QMCRYDWLIDGQAP-UHFFFAOYSA-N |
| MDL Number | MFCD26959473 |
| Molecular Formula | C9H13Cl2NO |
| Molecular Weight | 222.1116 |
| SMILES | C1(C(=CC=CC=1N)Cl)OC(C)C.Cl |
| Synonyms | (3-CHLORO-2-ISOPROPOXYPHENYL)AMINE HYDROCHLORIDE,
1609399-74-7,
ZX-CM005907,
MFCD26959473,
(3-chloro-2-isopropoxyphenyl)amine(SALTDATA,
130566-34-6,
|
| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.109g/mol |
| Monoisotopic Mass | 221.037g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
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