| CAS Number | 959528-03-1 |
| Catalog Number | AG01EB3Y(AGN-PC-0JS7TT) |
| Chemical Name | 4-Chloro-2-(1,1-dimethylethyl)benzenamine |
| IUPAC Name | 2-tert-butyl-4-chloroaniline |
| InChI | InChI=1S/C10H14ClN/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6H,12H2,1-3H3 |
| InChI Key | STWRRIVJDPYRLH-UHFFFAOYSA-N |
| MDL Number | MFCD20726042 |
| Molecular Formula | C10H14ClN |
| Molecular Weight | 183.6779 |
| SMILES | ClC1=CC(=C(C=C1)N)C(C)(C)C |
| Synonyms | 2-tert-butyl-4-chloroaniline,
Aniline, 2-tert-butyl-4-chloro-,
959528-03-1,
AC1LAOSH,
SCHEMBL630528,
STWRRIVJDPYRLH-UHFFFAOYSA-N,
4-Chloro-2-(1,1-dimethylethyl)benzenamine,
A1-11025,
CID517510,
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| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.679g/mol |
| Monoisotopic Mass | 183.081g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number