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206360-56-7 | Benzeneacetic acid, α,α-difluoro-4-nitro-
CAS No: 206360-56-7 Catalog No: AG002IGL MDL No:MFCD11504878
Product Description
Catalog Number:
AG002IGL
Chemical Name:
Benzeneacetic acid, α,α-difluoro-4-nitro-
CAS Number:
206360-56-7
Molecular Formula:
C8H5F2NO4
Molecular Weight:
217.1264
MDL Number:
MFCD11504878
IUPAC Name:
2,2-difluoro-2-(4-nitrophenyl)acetic acid
InChI:
InChI=1S/C8H5F2NO4/c9-8(10,7(12)13)5-1-3-6(4-2-5)11(14)15/h1-4H,(H,12,13)
InChI Key:
RZESONLWCQFNHX-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccc(cc1)[N+](=O)[O-])(F)F
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.019g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.128g/mol
Monoisotopic Mass:
217.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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