Home Other Building Blocks 2-(3-fluoroadamantan-1-yl)acetic acid

2-(3-fluoroadamantan-1-yl)acetic acid

CAS No.:
1795526-38-3
Catalog Number:
AG01AFHQ
Molecular Formula:
C12H17FO2
Molecular Weight:
212.2606
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Product Description
Catalog Number:
AG01AFHQ
Chemical Name:
2-(3-fluoroadamantan-1-yl)acetic acid
CAS Number:
1795526-38-3
Molecular Formula:
C12H17FO2
Molecular Weight:
212.2606
MDL Number:
MFCD27500881
IUPAC Name:
2-(3-fluoro-1-adamantyl)acetic acid
InChI:
InChI=1S/C12H17FO2/c13-12-4-8-1-9(5-12)3-11(2-8,7-12)6-10(14)15/h8-9H,1-7H2,(H,14,15)
InChI Key:
DIAVLAZPPBNYKZ-UHFFFAOYSA-N
SMILES:
OC(=O)CC12CC3CC(C1)CC(C2)(C3)F
Properties
Complexity:
299  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.121g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
212.264g/mol
Monoisotopic Mass:
212.121g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties