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114914-08-8 | Furan, 2-[[(3-chloropropyl)thio]methyl]-
CAS No: 114914-08-8 Catalog No: AG000FG0 MDL No:
Product Description
Catalog Number:
AG000FG0
Chemical Name:
Furan, 2-[[(3-chloropropyl)thio]methyl]-
CAS Number:
114914-08-8
Molecular Formula:
C8H11ClOS
Molecular Weight:
190.6903
IUPAC Name:
2-(3-chloropropylsulfanyl)-2-methyl-3H-furan
InChI:
InChI=1S/C8H13ClOS/c1-8(4-2-6-10-8)11-7-3-5-9/h2,6H,3-5,7H2,1H3
InChI Key:
QUKKJOOPLFQZBL-UHFFFAOYSA-N
SMILES:
ClCCCSCc1ccco1
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.038g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.701g/mol
Monoisotopic Mass:
192.038g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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