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113405-09-7 | Acetic acid, 2-[4-nitro-3-(trifluoromethyl)phenoxy]-
CAS No: 113405-09-7 Catalog No: AG0008HK MDL No:
Product Description
Catalog Number:
AG0008HK
Chemical Name:
Acetic acid, 2-[4-nitro-3-(trifluoromethyl)phenoxy]-
CAS Number:
113405-09-7
Molecular Formula:
C9H6F3NO5
Molecular Weight:
265.1428
IUPAC Name:
2-[4-nitro-3-(trifluoromethyl)phenoxy]acetic acid
InChI:
InChI=1S/C9H6F3NO5/c10-9(11,12)6-3-5(18-4-8(14)15)1-2-7(6)13(16)17/h1-3H,4H2,(H,14,15)
InChI Key:
FMMDNTXLWDHKSS-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-]
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.02g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.144g/mol
Monoisotopic Mass:
265.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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