CAS
97960-57-1 Purity
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97960-57-1 Purity
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2-Nitro-4-(2,2,2-trifluoroethoxy)aniline
CAS
97963-72-9
Catalog Number
ACM97963729
Category
Other Products
Molecular Weight
236.148
Molecular Formula
C8H7F3N2O3
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Specification
Synonyms
2-Nitro-4-(2,2,2-trifluoroethoxy)aniline, SureCN9527470, MolPort-019-937-814, KB-88426, 2-Amino-5-(2,2,2-trifluoroethoxy)nitrobenzene, 4-Amino-3-nitro-beta,beta,beta-trifluorophenetole, 97963-72-9
IUPAC Name
2-nitro-4-(2,2,2-trifluoroethoxy)aniline
Canonical SMILES
C1=CC(=C(C=C1OCC(F)(F)F)[N+](=O)[O-])N
InChI Key
IBGOUNGPWVVCMU-UHFFFAOYSA-N
Exact Mass
236.04100
H-Bond Acceptor
7
H-Bond Donor
1
What is the molecular formula of 2-Nitro-4-(2,2,2-trifluoroethoxy)aniline?
The molecular formula is C8H7F3N2O3.
When was 2-Nitro-4-(2,2,2-trifluoroethoxy)aniline created in PubChem?
It was created on December 5, 2007.
What is the IUPAC name of 2-Nitro-4-(2,2,2-trifluoroethoxy)aniline?
The IUPAC name is 2-nitro-4-(2,2,2-trifluoroethoxy)aniline.
What is the InChI of 2-Nitro-4-(2,2,2-trifluoroethoxy)aniline?
The InChI is InChI=1S/C8H7F3N2O3/c9-8(10,11)4-16-5-1-2-6(12)7(3-5)13(14)15/h1-3H,4,12H2.
How many hydrogen bond acceptor counts does 2-Nitro-4-(2,2,2-trifluoroethoxy)aniline have?
It has 7 hydrogen bond acceptor counts.
What is the topological polar surface area of 2-Nitro-4-(2,2,2-trifluoroethoxy)aniline?
The topological polar surface area is 81.1 Ų.
How many rotatable bond counts does 2-Nitro-4-(2,2,2-trifluoroethoxy)aniline have?
It has 2 rotatable bond counts.
Is 2-Nitro-4-(2,2,2-trifluoroethoxy)aniline a canonical compound?
Yes, it is a canonical compound.
What is the molecular weight of 2-Nitro-4-(2,2,2-trifluoroethoxy)aniline?
The molecular weight is 236.15 g/mol.
How many formal charges does 2-Nitro-4-(2,2,2-trifluoroethoxy)aniline have?
It has a formal charge of 0.
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