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909421-72-3

909421-72-3 | 2-CHLORO-5-(3-OXOCYCLOHEXYL)THIOPHENE

CAS No: 909421-72-3 Catalog No: AG006GD9 MDL No:

Product Description

Catalog Number:
AG006GD9
Chemical Name:
2-CHLORO-5-(3-OXOCYCLOHEXYL)THIOPHENE
CAS Number:
909421-72-3
Molecular Formula:
C10H11ClOS
Molecular Weight:
214.7117
IUPAC Name:
3-(5-chlorothiophen-2-yl)cyclohexan-1-one
InChI:
InChI=1S/C10H11ClOS/c11-10-5-4-9(13-10)7-2-1-3-8(12)6-7/h4-5,7H,1-3,6H2
InChI Key:
IXZLQWXGBNKJQR-UHFFFAOYSA-N
SMILES:
O=C1CCCC(C1)c1ccc(s1)Cl

Properties

Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.022g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.707g/mol
Monoisotopic Mass:
214.022g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

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