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114916-00-6 | [2,2'-Bithiophene]-5-methanol, α-(chloromethyl)-5'-(1-propyn-1-yl)-
CAS No: 114916-00-6 Catalog No: AG000FFP MDL No:MFCD20260516
Product Description
Catalog Number:
AG000FFP
Chemical Name:
[2,2'-Bithiophene]-5-methanol, α-(chloromethyl)-5'-(1-propyn-1-yl)-
CAS Number:
114916-00-6
Molecular Formula:
C13H11ClOS2
Molecular Weight:
282.8088
MDL Number:
MFCD20260516
IUPAC Name:
2-chloro-1-[5-(5-prop-1-ynylthiophen-2-yl)thiophen-2-yl]ethanol
InChI:
InChI=1S/C13H11ClOS2/c1-2-3-9-4-5-12(16-9)13-7-6-11(17-13)10(15)8-14/h4-7,10,15H,8H2,1H3
InChI Key:
IGVMEXFYGCEVQU-UHFFFAOYSA-N
SMILES:
CC#Cc1ccc(s1)c1ccc(s1)C(CCl)O
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.994g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.8g/mol
Monoisotopic Mass:
281.994g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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