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1261851-55-1 | Benzeneacetic acid, 4-(difluoromethoxy)-3-fluoro-
CAS No: 1261851-55-1 Catalog No: AG000S2R MDL No:MFCD18395038
Product Description
Catalog Number:
AG000S2R
Chemical Name:
Benzeneacetic acid, 4-(difluoromethoxy)-3-fluoro-
CAS Number:
1261851-55-1
Molecular Formula:
C9H7F3O3
Molecular Weight:
220.1453
MDL Number:
MFCD18395038
IUPAC Name:
2-[4-(difluoromethoxy)-3-fluorophenyl]acetic acid
InChI:
InChI=1S/C9H7F3O3/c10-6-3-5(4-8(13)14)1-2-7(6)15-9(11)12/h1-3,9H,4H2,(H,13,14)
InChI Key:
VHFMSYGWFHDRBD-UHFFFAOYSA-N
SMILES:
FC(Oc1ccc(cc1F)CC(=O)O)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
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