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1261645-53-7 | Benzeneacetic acid, 2-(difluoromethoxy)-6-fluoro-
CAS No: 1261645-53-7 Catalog No: AG000RWN MDL No:
Product Description
Catalog Number:
AG000RWN
Chemical Name:
Benzeneacetic acid, 2-(difluoromethoxy)-6-fluoro-
CAS Number:
1261645-53-7
Molecular Formula:
C9H7F3O3
Molecular Weight:
220.1453
IUPAC Name:
2-[2-(difluoromethoxy)-6-fluorophenyl]acetic acid
InChI:
InChI=1S/C9H7F3O3/c10-6-2-1-3-7(15-9(11)12)5(6)4-8(13)14/h1-3,9H,4H2,(H,13,14)
InChI Key:
UGKBHLSJKAEXFZ-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c(cccc1F)OC(F)F
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.035g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.147g/mol
Monoisotopic Mass:
220.035g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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