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130534-59-7 | Carbamic acid, [3-(2-chlorobenzoyl)-2-thienyl]-, 1,1-dimethylethyl ester (9CI)
CAS No: 130534-59-7 Catalog No: AG000ULY MDL No:
Product Description
Catalog Number:
AG000ULY
Chemical Name:
Carbamic acid, [3-(2-chlorobenzoyl)-2-thienyl]-, 1,1-dimethylethyl ester (9CI)
CAS Number:
130534-59-7
Molecular Formula:
C16H16ClNO3S
Molecular Weight:
337.8211
IUPAC Name:
tert-butyl N-[3-(2-chlorobenzoyl)thiophen-2-yl]carbamate
InChI:
InChI=1S/C16H16ClNO3S/c1-16(2,3)21-15(20)18-14-11(8-9-22-14)13(19)10-6-4-5-7-12(10)17/h4-9H,1-3H3,(H,18,20)
InChI Key:
AIDACVJUWUJEJZ-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1sccc1C(=O)c1ccccc1Cl
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.054g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
337.818g/mol
Monoisotopic Mass:
337.054g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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