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Home > Fluorides > 149707-41-5
149707-41-5 | Benzoic acid, 2,4,5-trifluoro-3-methoxy-6-nitro-
CAS No: 149707-41-5 Catalog No: AG001LYM MDL No:MFCD06658251
Product Description
Catalog Number:
AG001LYM
Chemical Name:
Benzoic acid, 2,4,5-trifluoro-3-methoxy-6-nitro-
CAS Number:
149707-41-5
Molecular Formula:
C8H4F3NO5
Molecular Weight:
251.1163
MDL Number:
MFCD06658251
IUPAC Name:
2,4,5-trifluoro-3-methoxy-6-nitrobenzoic acid
InChI:
InChI=1S/C8H4F3NO5/c1-17-7-3(9)2(8(13)14)6(12(15)16)4(10)5(7)11/h1H3,(H,13,14)
InChI Key:
MGDZIIULBYARTA-UHFFFAOYSA-N
SMILES:
COc1c(F)c(C(=O)O)c(c(c1F)F)[N+](=O)[O-]
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.004g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.117g/mol
Monoisotopic Mass:
251.004g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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