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1261503-17-6 | Benzeneacetic acid, 4-(difluoromethoxy)-3-fluoro-, methyl ester
CAS No: 1261503-17-6 Catalog No: AG000RTG MDL No:MFCD18399148
Product Description
Catalog Number:
AG000RTG
Chemical Name:
Benzeneacetic acid, 4-(difluoromethoxy)-3-fluoro-, methyl ester
CAS Number:
1261503-17-6
Molecular Formula:
C10H9F3O3
Molecular Weight:
234.1719
MDL Number:
MFCD18399148
IUPAC Name:
methyl 2-[4-(difluoromethoxy)-3-fluorophenyl]acetate
InChI:
InChI=1S/C10H9F3O3/c1-15-9(14)5-6-2-3-8(7(11)4-6)16-10(12)13/h2-4,10H,5H2,1H3
InChI Key:
ZJYNURGSMOFDQA-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1ccc(c(c1)F)OC(F)F
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.05g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.174g/mol
Monoisotopic Mass:
234.05g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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