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1447671-67-1 | Methyl 3,3-difluoropentanoate
CAS No: 1447671-67-1 Catalog No: AG01F7C9 MDL No:MFCD25976512
Product Description
Catalog Number:
AG01F7C9
Chemical Name:
Methyl 3,3-difluoropentanoate
CAS Number:
1447671-67-1
Molecular Formula:
C6H10F2O2
Molecular Weight:
152.1392
MDL Number:
MFCD25976512
IUPAC Name:
methyl 3,3-difluoropentanoate
InChI:
InChI=1S/C6H10F2O2/c1-3-6(7,8)4-5(9)10-2/h3-4H2,1-2H3
InChI Key:
KYZPTYKWCVHPIR-UHFFFAOYSA-N
SMILES:
COC(=O)CC(CC)(F)F
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.065g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.141g/mol
Monoisotopic Mass:
152.065g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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