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1379295-48-3 | 3-Chloro-4-fluorophenethyl acetate
CAS No: 1379295-48-3 Catalog No: AG01FE6A MDL No:
Product Description
Catalog Number:
AG01FE6A
Chemical Name:
3-Chloro-4-fluorophenethyl acetate
CAS Number:
1379295-48-3
Molecular Formula:
C10H10ClFO2
Molecular Weight:
216.6366
IUPAC Name:
2-(3-chloro-4-fluorophenyl)ethyl acetate
InChI:
InChI=1S/C10H10ClFO2/c1-7(13)14-5-4-8-2-3-10(12)9(11)6-8/h2-3,6H,4-5H2,1H3
InChI Key:
NWMURRIVTFTKLY-UHFFFAOYSA-N
SMILES:
CC(=O)OCCc1ccc(c(c1)Cl)F
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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