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1379040-04-6 | 3,4-Difluorophenethyl acetate
CAS No: 1379040-04-6 Catalog No: AG01FF69 MDL No:
Product Description
Catalog Number:
AG01FF69
Chemical Name:
3,4-Difluorophenethyl acetate
CAS Number:
1379040-04-6
Molecular Formula:
C10H10F2O2
Molecular Weight:
200.1820
IUPAC Name:
2-(3,4-difluorophenyl)ethyl acetate
InChI:
InChI=1S/C10H10F2O2/c1-7(13)14-5-4-8-2-3-9(11)10(12)6-8/h2-3,6H,4-5H2,1H3
InChI Key:
ZCJCRUVBKJFBCR-UHFFFAOYSA-N
SMILES:
CC(=O)OCCc1ccc(c(c1)F)F
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.065g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.185g/mol
Monoisotopic Mass:
200.065g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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