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1208074-87-6 | Ethyl 2,2-Difluorocyclopentanecarboxylate
CAS No: 1208074-87-6 Catalog No: AG01FBIV MDL No:MFCD12922659
Product Description
Catalog Number:
AG01FBIV
Chemical Name:
Ethyl 2,2-Difluorocyclopentanecarboxylate
CAS Number:
1208074-87-6
Molecular Formula:
C8H12F2O2
Molecular Weight:
178.1765
MDL Number:
MFCD12922659
IUPAC Name:
ethyl 2,2-difluorocyclopentane-1-carboxylate
InChI:
InChI=1S/C8H12F2O2/c1-2-12-7(11)6-4-3-5-8(6,9)10/h6H,2-5H2,1H3
InChI Key:
RDBAGNIFQCZGRB-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCCC1(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:
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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