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89661-18-7 | 3(2H)-Isoxazolone, 4-chloro-5-[(2-naphthalenylthio)methyl]-
CAS No: 89661-18-7 Catalog No: AG0043U8 MDL No:
Product Description
Catalog Number:
AG0043U8
Chemical Name:
3(2H)-Isoxazolone, 4-chloro-5-[(2-naphthalenylthio)methyl]-
CAS Number:
89661-18-7
Molecular Formula:
C14H10ClNO2S
Molecular Weight:
291.7527
IUPAC Name:
4-chloro-5-(naphthalen-2-ylsulfanylmethyl)-1,2-oxazol-3-one
InChI:
InChI=1S/C14H10ClNO2S/c15-13-12(18-16-14(13)17)8-19-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H,16,17)
InChI Key:
BQHUAMYYQFUZOB-UHFFFAOYSA-N
SMILES:
O=c1[nH]oc(c1Cl)CSc1ccc2c(c1)cccc2
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.012g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.749g/mol
Monoisotopic Mass:
291.012g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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