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881903-13-5 | Acetic acid, chlorodifluoro-, 1-ethyl-3-butenyl ester
CAS No: 881903-13-5 Catalog No: AG004DZ6 MDL No:
Product Description
Catalog Number:
AG004DZ6
Chemical Name:
Acetic acid, chlorodifluoro-, 1-ethyl-3-butenyl ester
CAS Number:
881903-13-5
Molecular Formula:
C8H11ClF2O2
Molecular Weight:
212.6215
IUPAC Name:
hex-5-en-3-yl 2-chloro-2,2-difluoroacetate
InChI:
InChI=1S/C8H11ClF2O2/c1-3-5-6(4-2)13-7(12)8(9,10)11/h3,6H,1,4-5H2,2H3
InChI Key:
QVXZJRWGVDLPAM-UHFFFAOYSA-N
SMILES:
C=CCC(OC(=O)C(Cl)(F)F)CC
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.042g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.621g/mol
Monoisotopic Mass:
212.042g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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