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147353-95-5 | Carbamic acid, N-[1-(4-chlorophenyl)-2-hydroxyethyl]-, 1,1-dimethylethyl ester
CAS No: 147353-95-5 Catalog No: AG001EUG MDL No:MFCD24387088
Product Description
Catalog Number:
AG001EUG
Chemical Name:
Carbamic acid, N-[1-(4-chlorophenyl)-2-hydroxyethyl]-, 1,1-dimethylethyl ester
CAS Number:
147353-95-5
Molecular Formula:
C13H18ClNO3
Molecular Weight:
271.7399
MDL Number:
MFCD24387088
IUPAC Name:
tert-butyl N-[1-(4-chlorophenyl)-2-hydroxyethyl]carbamate
InChI:
InChI=1S/C13H18ClNO3/c1-13(2,3)18-12(17)15-11(8-16)9-4-6-10(14)7-5-9/h4-7,11,16H,8H2,1-3H3,(H,15,17)
InChI Key:
QUURCBFBLHSKLE-UHFFFAOYSA-N
SMILES:
OCC(c1ccc(cc1)Cl)NC(=O)OC(C)(C)C
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.098g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
271.741g/mol
Monoisotopic Mass:
271.098g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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