Home Other Building Blocks METHYL 1-FLUORO-2-OXOCYCLOHEXANE-1-CARBOXYLATE

METHYL 1-FLUORO-2-OXOCYCLOHEXANE-1-CARBOXYLATE

CAS No.:
84131-42-0
Catalog Number:
AG01E1QZ
Molecular Formula:
C8H11FO3
Molecular Weight:
174.1695
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Product Description
Catalog Number:
AG01E1QZ
Chemical Name:
METHYL 1-FLUORO-2-OXOCYCLOHEXANE-1-CARBOXYLATE
CAS Number:
84131-42-0
Molecular Formula:
C8H11FO3
Molecular Weight:
174.1695
MDL Number:
MFCD24704734
IUPAC Name:
methyl 1-fluoro-2-oxocyclohexane-1-carboxylate
InChI:
InChI=1S/C8H11FO3/c1-12-7(11)8(9)5-3-2-4-6(8)10/h2-5H2,1H3
InChI Key:
RTUMZQUWNLXPOW-UHFFFAOYSA-N
SMILES:
COC(=O)C1(F)CCCCC1=O
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.069g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.171g/mol
Monoisotopic Mass:
174.069g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties