| CAS Number | 35426-69-8 |
| Catalog Number | AG00I718(AGN-PC-0JUWDP) |
| Chemical Name | Carbamic acid, (2-chlorophenyl)-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl N-(2-chlorophenyl)carbamate |
| InChI | InChI=1S/C11H14ClNO2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12/h4-7H,1-3H3,(H,13,14) |
| InChI Key | LLDDCZFFWXSEFG-UHFFFAOYSA-N |
| MDL Number | MFCD00742662 |
| Molecular Formula | C11H14ClNO2 |
| Molecular Weight | 227.6874 |
| SMILES | O=C(OC(C)(C)C)NC1=CC=CC=C1Cl |
| Synonyms | tert-Butyl 2-chlorophenylcarbamate,
35426-69-8,
tert-butyl (2-chlorophenyl)carbamate,
N-Boc-ortho-chloroaniline,
AC1LEC6Z,
SCHEMBL3790475,
ZINC50044,
MFCD00742662,
STK730742,
AKOS001713123,
MCULE-4228263158,
tert-butyl N-(2-chlorophenyl)carbamate,
N-(tert-Butoxycarbonyl)-2-chloroaniline,
AS-44901,
ST4006373,
(tert-butoxy)-N-(2-chlorophenyl)carboxamide,
SR-01000508814,
SR-01000508814-1,
A0435/0020156,
CID683828,
ZINC00050044,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.688g/mol |
| Monoisotopic Mass | 227.071g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number