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87623-14-1 | ethyl N-[4-(1,3-oxathiolan-2-yl)phenyl]carbamate
CAS No: 87623-14-1 Catalog No: AG004P53 MDL No:
Product Description
Catalog Number:
AG004P53
Chemical Name:
ethyl N-[4-(1,3-oxathiolan-2-yl)phenyl]carbamate
CAS Number:
87623-14-1
Molecular Formula:
C12H15NO3S
Molecular Weight:
253.3174
IUPAC Name:
ethyl N-[4-(1,3-oxathiolan-2-yl)phenyl]carbamate
InChI:
InChI=1S/C12H15NO3S/c1-2-15-12(14)13-10-5-3-9(4-6-10)11-16-7-8-17-11/h3-6,11H,2,7-8H2,1H3,(H,13,14)
InChI Key:
HIOPJDRYJSGLRB-UHFFFAOYSA-N
SMILES:
CCOC(=O)Nc1ccc(cc1)C1OCCS1
NSC Number:
377841
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.077g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.316g/mol
Monoisotopic Mass:
253.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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