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Home > Fluorides > 1233958-94-5
1233958-94-5 | 4-Fluoro-1-(3-methoxypropoxy)-2-nitrobenzene
CAS No: 1233958-94-5 Catalog No: AG01FAL3 MDL No:
Product Description
Catalog Number:
AG01FAL3
Chemical Name:
4-Fluoro-1-(3-methoxypropoxy)-2-nitrobenzene
CAS Number:
1233958-94-5
Molecular Formula:
C10H12FNO4
Molecular Weight:
229.2050
IUPAC Name:
4-fluoro-1-(3-methoxypropoxy)-2-nitrobenzene
InChI:
InChI=1S/C10H12FNO4/c1-15-5-2-6-16-10-4-3-8(11)7-9(10)12(13)14/h3-4,7H,2,5-6H2,1H3
InChI Key:
IXSGKDOHZWMOTF-UHFFFAOYSA-N
SMILES:
COCCCOc1ccc(cc1[N+](=O)[O-])F
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.075g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.207g/mol
Monoisotopic Mass:
229.075g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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