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1224430-39-0 | 2-Thiophenecarbonitrile, 4-hexyl-
CAS No: 1224430-39-0 Catalog No: AG00178H MDL No:MFCD18413940
Product Description
Catalog Number:
AG00178H
Chemical Name:
2-Thiophenecarbonitrile, 4-hexyl-
CAS Number:
1224430-39-0
Molecular Formula:
C11H15NS
Molecular Weight:
193.3085
MDL Number:
MFCD18413940
IUPAC Name:
4-hexylthiophene-2-carbonitrile
InChI:
InChI=1S/C11H15NS/c1-2-3-4-5-6-10-7-11(8-12)13-9-10/h7,9H,2-6H2,1H3
InChI Key:
LFLOKABSZNAYLC-UHFFFAOYSA-N
SMILES:
CCCCCCc1csc(c1)C#N
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.093g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.308g/mol
Monoisotopic Mass:
193.093g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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