Home Other Building Blocks 2-cyclohexyl-1-(pyrimidin-2-yl)ethan-1-one

2-cyclohexyl-1-(pyrimidin-2-yl)ethan-1-one

CAS No.:
1249454-39-4
Catalog Number:
AG01AIFA
Molecular Formula:
C12H16N2O
Molecular Weight:
204.2682
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Product Description
Catalog Number:
AG01AIFA
Chemical Name:
2-cyclohexyl-1-(pyrimidin-2-yl)ethan-1-one
CAS Number:
1249454-39-4
Molecular Formula:
C12H16N2O
Molecular Weight:
204.2682
MDL Number:
MFCD16819898
IUPAC Name:
2-cyclohexyl-1-pyrimidin-2-ylethanone
InChI:
InChI=1S/C12H16N2O/c15-11(12-13-7-4-8-14-12)9-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2
InChI Key:
QVWARJTWIBBESK-UHFFFAOYSA-N
SMILES:
O=C(c1ncccn1)CC1CCCCC1
Properties
Complexity:
206  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.126g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.273g/mol
Monoisotopic Mass:
204.126g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties