| CAS Number | 918445-56-4 |
| Catalog Number | AG00IGWK(AGN-PC-08XZ39) |
| Chemical Name | 2-Chloro-5-tert-butylaniline |
| IUPAC Name | 5-tert-butyl-2-chloroaniline |
| InChI | InChI=1S/C10H14ClN/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6H,12H2,1-3H3 |
| InChI Key | AVGQOELTIIUNGC-UHFFFAOYSA-N |
| MDL Number | MFCD11846051 |
| Molecular Formula | C10H14ClN |
| Molecular Weight | 183.6779 |
| SMILES | C1(=CC=C(Cl)C(N)=C1)C(C)(C)C |
| Synonyms | 2-Chloro-5-tert-butylaniline,
918445-56-4,
5-tert-Butyl-2-chloroaniline,
5-tert-Butyl-2-chlorobenzenamine,
SCHEMBL3790287,
CTK3H7334,
DTXSID10679226,
AVGQOELTIIUNGC-UHFFFAOYSA-N,
ZINC36532890,
AKOS006346068,
FS-6568,
Benzenamine, 2-chloro-5-(1,1-dimethylethyl)-,
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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 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number