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1-Nitro-3-(1,2,2,2-tetrafluoroethyl)benzene

1-Nitro-3-(1,2,2,2-tetrafluoroethyl)benzene - CAS 612844-88-9

Catalog:	BB031043
Product Name:	1-Nitro-3-(1,2,2,2-tetrafluoroethyl)benzene
CAS:	612844-88-9
Synonyms:	1-nitro-3-(1,2,2,2-tetrafluoroethyl)benzene; 1-nitro-3-(1,2,2,2-tetrafluoroethyl)benzene

Technical Data

Patents

Computed Properties

IUPAC Name:	1-nitro-3-(1,2,2,2-tetrafluoroethyl)benzene
Description:	1-Nitro-3-(1,2,2,2-tetrafluoroethyl)benzene (CAS# 612844-88-9 ) is a useful research chemical.
Molecular Weight:	223.12
Molecular Formula:	C8H5F4NO2
Canonical SMILES:	C1=CC(=CC(=C1)[N+](=O)[O-])C(C(F)(F)F)F
InChI:	InChI=1S/C8H5F4NO2/c9-7(8(10,11)12)5-2-1-3-6(4-5)13(14)15/h1-4,7H
InChI Key:	AJYXKKGPBOPKNL-UHFFFAOYSA-N
LogP:	3.69090

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Related Functional Groups

Nitrogen Compounds

[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[2241982-86-3]
3-(Phenyl-2-D)propanenitrile-2,2-D2
[862649-86-3]
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol
[351-28-0]
3'-Fluoroacetanilide
[5071-96-5]
3-Methoxybenzylamine

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Complexity:	238
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.02564105
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	223.02564105
Rotatable Bond Count:	1
Topological Polar Surface Area:	45.8
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3