| CAS Number | 52756-36-2 |
| Catalog Number | AG00DLX7(AGN-PC-00IRVV) |
| Chemical Name | 4-tert-butyl-3-chlorobenzenamine |
| IUPAC Name | 4-tert-butyl-3-chloroaniline |
| InChI | InChI=1S/C10H14ClN/c1-10(2,3)8-5-4-7(12)6-9(8)11/h4-6H,12H2,1-3H3 |
| InChI Key | CFMUKZISSXYPBP-UHFFFAOYSA-N |
| MDL Number | MFCD09966032 |
| Molecular Formula | C10H14ClN |
| Molecular Weight | 183.6779 |
| SMILES | ClC=1C=C(C=CC1C(C)(C)C)N |
| Synonyms | 4-tert-Butyl-3-chloroaniline,
52756-36-2,
Benzenamine, 3-chloro-4-(1,1-dimethylethyl)-,
SCHEMBL3781096,
CTK7D6476,
4-tert-butyl-3-chlorophenylamine,
CFMUKZISSXYPBP-UHFFFAOYSA-N,
4-(tert-butyl)-3-chlorophenylamine,
SBB090102,
ZINC19801666,
AKOS006344791,
FT-0712131,
A1-10863,
CID11959040,
AE-562/43287149,
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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