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Indazole Related Compound 2

CAT: 1596-AR-I03518-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-I03518-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1639298-89-7
Molecular Formula
C7H3ClFNO3
Molecular Weight
203.55
API Name
Indazole

Chemical Information

4-Chloro-2-fluoro-5-nitrobenzaldehyde
CAS Number1639298-89-7
PubChem CID117819650
IUPAC Name4-chloro-2-fluoro-5-nitrobenzaldehyde
Molecular FormulaC7H3ClFNO3
Molecular Weight203.55
XLogP1.9
Topological Polar Surface Area62.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity220
SMILES
C1=C(C(=CC(=C1[N+](=O)[O-])Cl)F)C=O
InChI
InChI=1S/C7H3ClFNO3/c8-5-2-6(9)4(3-11)1-7(5)10(12)13/h1-3H
InChIKey
IMOCVQHHADWLQG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Chloro-2-fluoro-5-nitrobenzaldehyde
CAS: 1639298-89-7
CID: 117819650
Formula: C7H3ClFNO3
MW: 203.55
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight203.55
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass202.9785488
Monoisotopic Mass202.9785488
Topological Polar Surface Area62.9 Ų
Heavy Atom Count13
Formal Charge0
Complexity220
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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