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2,5-Difluoro-4-nitrobenzaldehyde

CAT: 0127-PC1006480-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-PC1006480-01Size:100 mg
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CAS Number
1160474-72-5
MDL Number
MFCD09909605
Purity
95%
Smiles
O=CC1=CC(F)=C([N+]([O-])=O)C=C1F

Chemical Information

2,5-Difluoro-4-nitrobenzaldehyde
CAS Number1160474-72-5
PubChem CID45588257
IUPAC Name2,5-difluoro-4-nitrobenzaldehyde
Molecular FormulaC7H3F2NO3
Molecular Weight187.10
XLogP1.4
Topological Polar Surface Area62.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity218
SMILES
C1=C(C(=CC(=C1F)[N+](=O)[O-])F)C=O
InChI
InChI=1S/C7H3F2NO3/c8-5-2-7(10(12)13)6(9)1-4(5)3-11/h1-3H
InChIKey
QMQRAEOCSNLDEY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,5-Difluoro-4-nitrobenzaldehyde
CAS: 1160474-72-5
CID: 45588257
Formula: C7H3F2NO3
MW: 187.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight187.10
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass187.00809928
Monoisotopic Mass187.00809928
Topological Polar Surface Area62.9 Ų
Heavy Atom Count13
Formal Charge0
Complexity218
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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