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129409-55-8 | Benzeneacetic acid, 3,4-difluoro-, ethyl ester
CAS No: 129409-55-8 Catalog No: AG000Z4B MDL No:MFCD11555006
Product Description
Catalog Number:
AG000Z4B
Chemical Name:
Benzeneacetic acid, 3,4-difluoro-, ethyl ester
CAS Number:
129409-55-8
Molecular Formula:
C10H10F2O2
Molecular Weight:
200.1820
MDL Number:
MFCD11555006
IUPAC Name:
ethyl 2-(3,4-difluorophenyl)acetate
InChI:
InChI=1S/C10H10F2O2/c1-2-14-10(13)6-7-3-4-8(11)9(12)5-7/h3-5H,2,6H2,1H3
InChI Key:
LKVYMQOKFNCQTH-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1ccc(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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