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88882-36-4 | 2(3H)-Benzoxazolethione, 5-chloro-3-(tetrahydro-2-furanyl)-
CAS No: 88882-36-4 Catalog No: AG00497R MDL No:
Product Description
Catalog Number:
AG00497R
Chemical Name:
2(3H)-Benzoxazolethione, 5-chloro-3-(tetrahydro-2-furanyl)-
CAS Number:
88882-36-4
Molecular Formula:
C11H10ClNO2S
Molecular Weight:
255.7206
IUPAC Name:
5-chloro-3-(oxolan-2-yl)-1,3-benzoxazole-2-thione
InChI:
InChI=1S/C11H10ClNO2S/c12-7-3-4-9-8(6-7)13(11(16)15-9)10-2-1-5-14-10/h3-4,6,10H,1-2,5H2
InChI Key:
GRKBRQBYYQFKAO-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)n(C1CCCO1)c(=S)o2
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.012g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.716g/mol
Monoisotopic Mass:
255.012g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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