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26404-78-4 | 2-Propanol, 1-chloro-3-(hexylthio)-
CAS No: 26404-78-4 Catalog No: AG002T2F MDL No:
Product Description
Catalog Number:
AG002T2F
Chemical Name:
2-Propanol, 1-chloro-3-(hexylthio)-
CAS Number:
26404-78-4
Molecular Formula:
C9H19ClOS
Molecular Weight:
210.7646
IUPAC Name:
1-chloro-3-hexylsulfanylpropan-2-ol
InChI:
InChI=1S/C9H19ClOS/c1-2-3-4-5-6-12-8-9(11)7-10/h9,11H,2-8H2,1H3
InChI Key:
SBLPTOAXHKNRAE-UHFFFAOYSA-N
SMILES:
CCCCCCSCC(CCl)O
NSC Number:
86972
Properties
Complexity:
90.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.085g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.76g/mol
Monoisotopic Mass:
210.085g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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