tert-Butyl 2-Chlorophenylcarbamate - CAS 35426-69-8

Catalog:	BB057707
Product Name:	tert-Butyl 2-Chlorophenylcarbamate
CAS:	35426-69-8
Synonyms:	1,1-Dimethylethyl N-(2-Chlorophenyl)carbamate; (2-Chloro-phenyl)-carbamic Acid tert-Butyl Ester; N-(tert-Butoxycarbonyl)-2-chloroaniline; o-Chloro-N-tert-butoxycarbonylaniline; tert-Butyl (2-Chlorophenyl)carbamate;tert-Butyl N-(2-Chlorophenyl)carbamate; tert-Butyl o-Chlorophenylcarbamate

Technical Data

IUPAC Name:	tert-butyl N-(2-chlorophenyl)carbamate
Description:	tert-Butyl 2-Chlorophenylcarbamate is used in method for producing imidazoliumcarboximidate inner salts by condensation of carbamate with imidazoliumcarboxylates.
Molecular Weight:	227.69
Molecular Formula:	C11H14NO2Cl
Canonical SMILES:	CC(C)(C)OC(=O)NC1=CC=CC=C1Cl
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
References:	Takahashi, S., et al. PCT Int. Appl., (2018).

Complexity:	225
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	227.0713064
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	227.0713064
Rotatable Bond Count:	3
Topological Polar Surface Area:	38.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1