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Home Halogens Carbamic acid, [2-(4-chlorophenyl)ethyl]-, 1,1-dimethylethyl ester (9CI)

Carbamic acid, [2-(4-chlorophenyl)ethyl]-, 1,1-dimethylethyl ester (9CI)

CAS No.:
167886-56-8
Catalog Number:
AG001XO6
Molecular Formula:
C13H18ClNO2
Molecular Weight:
255.7405
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Product Description
Catalog Number:
AG001XO6
Chemical Name:
Carbamic acid, [2-(4-chlorophenyl)ethyl]-, 1,1-dimethylethyl ester (9CI)
CAS Number:
167886-56-8
Molecular Formula:
C13H18ClNO2
Molecular Weight:
255.7405
MDL Number:
MFCD20275311
IUPAC Name:
tert-butyl N-[2-(4-chlorophenyl)ethyl]carbamate
InChI:
InChI=1S/C13H18ClNO2/c1-13(2,3)17-12(16)15-9-8-10-4-6-11(14)7-5-10/h4-7H,8-9H2,1-3H3,(H,15,16)
InChI Key:
DRJONERMNYANKB-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCCc1ccc(cc1)Cl
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.103g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
255.742g/mol
Monoisotopic Mass:
255.103g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties