Home Carboxys 4,4-DifluoroadaMantan-1-carboxylic acid Methyl ester

4,4-DifluoroadaMantan-1-carboxylic acid Methyl ester

CAS No.:
1313739-04-6
Catalog Number:
AG009CXL
Molecular Formula:
C12H16F2O2
Molecular Weight:
230.2510
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Product Description
Catalog Number:
AG009CXL
Chemical Name:
4,4-DifluoroadaMantan-1-carboxylic acid Methyl ester
CAS Number:
1313739-04-6
Molecular Formula:
C12H16F2O2
Molecular Weight:
230.2510
MDL Number:
MFCD18800658
IUPAC Name:
methyl 4,4-difluoroadamantane-1-carboxylate
InChI:
InChI=1S/C12H16F2O2/c1-16-10(15)11-4-7-2-8(5-11)12(13,14)9(3-7)6-11/h7-9H,2-6H2,1H3
InChI Key:
IRSQDTPPCWEWKW-UHFFFAOYSA-N
SMILES:
COC(=O)C12CC3CC(C2)C(C(C1)C3)(F)F
Properties
Complexity:
322  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.112g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.255g/mol
Monoisotopic Mass:
230.112g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties