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1215071-19-4 | Cyclobutanol, 3,3-difluoro-, 1-benzoate
CAS No: 1215071-19-4 Catalog No: AG00154C MDL No:MFCD16039588
Product Description
Catalog Number:
AG00154C
Chemical Name:
Cyclobutanol, 3,3-difluoro-, 1-benzoate
CAS Number:
1215071-19-4
Molecular Formula:
C11H10F2O2
Molecular Weight:
212.1927
MDL Number:
MFCD16039588
IUPAC Name:
(3,3-difluorocyclobutyl) benzoate
InChI:
InChI=1S/C11H10F2O2/c12-11(13)6-9(7-11)15-10(14)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChI Key:
MHWHRWBARKVNBB-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)OC1CC(C1)(F)F
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.065g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.196g/mol
Monoisotopic Mass:
212.065g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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