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4-Fluoro-3,5-dimethylaniline

CAT: 0572-TRC-F591200-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-F591200-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1840-27-3
Hazard Statement
No Data Available
Smiles
Cc1cc(N)cc(C)c1F
Molecular Formula
C8 H10 F N
Molecular Weight
139.17
InChI
InChI=1S/C8H10FN/c1-5-3-7(10)4-6(2)8(5)9/h3-4H,10H2,1-2H3
Additionnal Information
IUPAC name: 4-fluoro-3,5-dimethylaniline
Shipping Conditions
Room Temperature

Chemical Information

4-Fluoro-3,5-dimethylaniline
CAS Number1840-27-3
PubChem CID19103348
IUPAC Name4-fluoro-3,5-dimethylaniline
Molecular FormulaC8H10FN
Molecular Weight139.17
XLogP2.1
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity104
SMILES
CC1=CC(=CC(=C1F)C)N
InChI
InChI=1S/C8H10FN/c1-5-3-7(10)4-6(2)8(5)9/h3-4H,10H2,1-2H3
InChIKey
IGNFILTZSIUWBS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Fluoro-3,5-dimethylaniline
CAS: 1840-27-3
CID: 19103348
Formula: C8H10FN
MW: 139.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight139.17
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass139.079727485
Monoisotopic Mass139.079727485
Topological Polar Surface Area26 Ų
Heavy Atom Count10
Formal Charge0
Complexity104
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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