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Home > Fluorides > 129464-01-3
129464-01-3 | Benzene, 4-fluoro-1-nitro-2-(phenylmethoxy)-
CAS No: 129464-01-3 Catalog No: AG000Z5S MDL No:MFCD20441777
Product Description
Catalog Number:
AG000Z5S
Chemical Name:
Benzene, 4-fluoro-1-nitro-2-(phenylmethoxy)-
CAS Number:
129464-01-3
Molecular Formula:
C13H10FNO3
Molecular Weight:
247.2218
MDL Number:
MFCD20441777
IUPAC Name:
4-fluoro-1-nitro-2-phenylmethoxybenzene
InChI:
InChI=1S/C13H10FNO3/c14-11-6-7-12(15(16)17)13(8-11)18-9-10-4-2-1-3-5-10/h1-8H,9H2
InChI Key:
FOYQTDKPDAJMPF-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)OCc1ccccc1)[N+](=O)[O-]
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.064g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.225g/mol
Monoisotopic Mass:
247.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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