Home Other Building Blocks 2-(3,3-difluorocyclohexyl)acetic acid

2-(3,3-difluorocyclohexyl)acetic acid

CAS No.:
1553621-50-3
Catalog Number:
AG01EK6P
Molecular Formula:
C8H12F2O2
Molecular Weight:
178.1765
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Product Description
Catalog Number:
AG01EK6P
Chemical Name:
2-(3,3-difluorocyclohexyl)acetic acid
CAS Number:
1553621-50-3
Molecular Formula:
C8H12F2O2
Molecular Weight:
178.1765
MDL Number:
MFCD28636691
IUPAC Name:
2-(3,3-difluorocyclohexyl)acetic acid
InChI:
InChI=1S/C8H12F2O2/c9-8(10)3-1-2-6(5-8)4-7(11)12/h6H,1-5H2,(H,11,12)
InChI Key:
FSVIPQWQGWXNKS-UHFFFAOYSA-N
SMILES:
OC(=O)CC1CCCC(C1)(F)F
Properties
Complexity:
180  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.081g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
178.179g/mol
Monoisotopic Mass:
178.081g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties