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1233955-12-8

1233955-12-8 | 2-Fluoro-N-(3-methoxypropyl)-6-nitroaniline

CAS No: 1233955-12-8 Catalog No: AG01FAVG MDL No:

Product Description

Catalog Number:
AG01FAVG
Chemical Name:
2-Fluoro-N-(3-methoxypropyl)-6-nitroaniline
CAS Number:
1233955-12-8
Molecular Formula:
C10H13FN2O3
Molecular Weight:
228.2202
IUPAC Name:
2-fluoro-N-(3-methoxypropyl)-6-nitroaniline
InChI:
InChI=1S/C10H13FN2O3/c1-16-7-3-6-12-10-8(11)4-2-5-9(10)13(14)15/h2,4-5,12H,3,6-7H2,1H3
InChI Key:
LDTQMIJZUJULIS-UHFFFAOYSA-N
SMILES:
COCCCNc1c(F)cccc1[N+](=O)[O-]

Properties

Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.091g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
228.223g/mol
Monoisotopic Mass:
228.091g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
67.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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