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89661-45-0 | Carbamic acid, dimethyl-, 5-[(phenylthio)methyl]-3-isoxazolyl ester
CAS No: 89661-45-0 Catalog No: AG0088MI MDL No:
Product Description
Catalog Number:
AG0088MI
Chemical Name:
Carbamic acid, dimethyl-, 5-[(phenylthio)methyl]-3-isoxazolyl ester
CAS Number:
89661-45-0
Molecular Formula:
C13H14N2O3S
Molecular Weight:
278.3269
IUPAC Name:
[5-(phenylsulfanylmethyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate
InChI:
InChI=1S/C13H14N2O3S/c1-15(2)13(16)17-12-8-10(18-14-12)9-19-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChI Key:
YFSRTOADMSVFAO-UHFFFAOYSA-N
SMILES:
CN(C(=O)Oc1noc(c1)CSc1ccccc1)C
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.073g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.326g/mol
Monoisotopic Mass:
278.073g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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