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1379363-86-6 | 3-Chloro-5-fluorophenethyl acetate
CAS No: 1379363-86-6 Catalog No: AG01FE6P MDL No:
Product Description
Catalog Number:
AG01FE6P
Chemical Name:
3-Chloro-5-fluorophenethyl acetate
CAS Number:
1379363-86-6
Molecular Formula:
C10H10ClFO2
Molecular Weight:
216.6366
IUPAC Name:
2-(3-chloro-5-fluorophenyl)ethyl acetate
InChI:
InChI=1S/C10H10ClFO2/c1-7(13)14-3-2-8-4-9(11)6-10(12)5-8/h4-6H,2-3H2,1H3
InChI Key:
AWGJEDPXHHXSMO-UHFFFAOYSA-N
SMILES:
CC(=O)OCCc1cc(F)cc(c1)Cl
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.035g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.636g/mol
Monoisotopic Mass:
216.035g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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