Home Carboxys Ethyl 3,3-difluoro-1-methylcyclobutanecarboxylate

Ethyl 3,3-difluoro-1-methylcyclobutanecarboxylate

CAS No.:
227607-45-6
Catalog Number:
AG00I4HA
Molecular Formula:
C8H12F2O2
Molecular Weight:
178.1765
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Product Description
Catalog Number:
AG00I4HA
Chemical Name:
Ethyl 3,3-difluoro-1-methylcyclobutanecarboxylate
CAS Number:
227607-45-6
Molecular Formula:
C8H12F2O2
Molecular Weight:
178.1765
MDL Number:
MFCD23105921
IUPAC Name:
ethyl 3,3-difluoro-1-methylcyclobutane-1-carboxylate
InChI:
InChI=1S/C8H12F2O2/c1-3-12-6(11)7(2)4-8(9,10)5-7/h3-5H2,1-2H3
InChI Key:
XPJJHWLCLJNZCY-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(C)CC(C1)(F)F
Properties
Complexity:
193  
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:
0
Isotope Atom Count:
0
Molecular Weight:
178.179g/mol
Monoisotopic Mass:
178.081g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties