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1394129-94-2 | Cyclopentanecarboxylic acid, 3,3-difluoro-, methyl ester
CAS No: 1394129-94-2 Catalog No: AG001AYW MDL No:MFCD22572330
Product Description
Catalog Number:
AG001AYW
Chemical Name:
Cyclopentanecarboxylic acid, 3,3-difluoro-, methyl ester
CAS Number:
1394129-94-2
Molecular Formula:
C7H10F2O2
Molecular Weight:
164.1499
MDL Number:
MFCD22572330
IUPAC Name:
methyl 3,3-difluorocyclopentane-1-carboxylate
InChI:
InChI=1S/C7H10F2O2/c1-11-6(10)5-2-3-7(8,9)4-5/h5H,2-4H2,1H3
InChI Key:
ADUIVPFOAZXVOE-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCC(C1)(F)F
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.065g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.152g/mol
Monoisotopic Mass:
164.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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