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820961-95-3 | Benzoxazole, 2-[(1-methylcyclopentyl)thio]-
CAS No: 820961-95-3 Catalog No: AG005C5H MDL No:
Product Description
Catalog Number:
AG005C5H
Chemical Name:
Benzoxazole, 2-[(1-methylcyclopentyl)thio]-
CAS Number:
820961-95-3
Molecular Formula:
C13H15NOS
Molecular Weight:
233.3293
IUPAC Name:
2-(1-methylcyclopentyl)sulfanyl-1,3-benzoxazole
InChI:
InChI=1S/C13H15NOS/c1-13(8-4-5-9-13)16-12-14-10-6-2-3-7-11(10)15-12/h2-3,6-7H,4-5,8-9H2,1H3
InChI Key:
YSNWVKHUFMEDDE-UHFFFAOYSA-N
SMILES:
CC1(CCCC1)Sc1nc2c(o1)cccc2
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.087g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.329g/mol
Monoisotopic Mass:
233.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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