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1379334-48-1 | 3-(5-Chloro-2-thienyl)-3-pentanol
CAS No: 1379334-48-1 Catalog No: AG01FEF9 MDL No:
Product Description
Catalog Number:
AG01FEF9
Chemical Name:
3-(5-Chloro-2-thienyl)-3-pentanol
CAS Number:
1379334-48-1
Molecular Formula:
C9H13ClOS
Molecular Weight:
204.7169
IUPAC Name:
3-(5-chlorothiophen-2-yl)pentan-3-ol
InChI:
InChI=1S/C9H13ClOS/c1-3-9(11,4-2)7-5-6-8(10)12-7/h5-6,11H,3-4H2,1-2H3
InChI Key:
DJHUHOWYZBMABS-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(s1)Cl)(CC)O
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.038g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.712g/mol
Monoisotopic Mass:
204.038g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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