2-Nitro-4-(trifluoromethyl)benzonitrile

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Catalog Number
ACM778949
Product Name
2-Nitro-4-(trifluoromethyl)benzonitrile
Structure
Structure
CAS
778-94-9
Category
Heterocyclic Organic Compound
IUPAC Name
2-nitro-4-(trifluoromethyl)benzonitrile
Molecular Weight
216.12g/mol
Molecular Formula
C8H3F3N2O2
Canonical SMILES
C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])C#N
InChI
InChI=1S/C8H3F3N2O2/c9-8(10,11)6-2-1-5(4-12)7(3-6)13(14)15/h1-3H
InChI Key
BQCWLXXZTCLGSZ-UHFFFAOYSA-N
Complexity
301
Covalently-Bonded Unit Count
1
EC Number
212-298-1
Exact Mass
216.014662g/mol
Formal Charge
0
H-Bond Acceptor
6
H-Bond Donor
0
Heavy Atom Count
15
Monoisotopic Mass
216.014662g/mol
NSC Number
88323
Rotatable Bond Count
0
UNII
E6Z0MKD079
XLogP3
1.9
MSDS
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COA
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Spec Sheet
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