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139368-37-9 | Benzeneacetic acid, 3,5-difluoro-, ethyl ester
CAS No: 139368-37-9 Catalog No: AG001AVP MDL No:MFCD11111873
Product Description
Catalog Number:
AG001AVP
Chemical Name:
Benzeneacetic acid, 3,5-difluoro-, ethyl ester
CAS Number:
139368-37-9
Molecular Formula:
C10H10F2O2
Molecular Weight:
200.1820
MDL Number:
MFCD11111873
IUPAC Name:
ethyl 2-(3,5-difluorophenyl)acetate
InChI:
InChI=1S/C10H10F2O2/c1-2-14-10(13)5-7-3-8(11)6-9(12)4-7/h3-4,6H,2,5H2,1H3
InChI Key:
IYDLIJQAMCQPCB-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1cc(F)cc(c1)F
Properties
Complexity:
187
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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