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2,4-Difluoro-5-methylaniline

CAT: 0926-DFC57956-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-DFC57956-01Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1378579-56-6
MDL Number
MFCD14583001
Smiles
CC1=CC (=C (C=C1F) F) N
Molecular Formula
C7H7F2N
Molecular Weight
143.13 g/mol
Controlled
No

Chemical Information

2,4-Difluoro-5-methylaniline
CAS Number1378579-56-6
PubChem CID79003583
IUPAC Name2,4-difluoro-5-methylaniline
Molecular FormulaC7H7F2N
Molecular Weight143.13
XLogP1.8
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity118
SMILES
CC1=CC(=C(C=C1F)F)N
InChI
InChI=1S/C7H7F2N/c1-4-2-7(10)6(9)3-5(4)8/h2-3H,10H2,1H3
InChIKey
BXKWEKJPNHPFTM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4-Difluoro-5-methylaniline
CAS: 1378579-56-6
CID: 79003583
Formula: C7H7F2N
MW: 143.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight143.13
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass143.05465555
Monoisotopic Mass143.05465555
Topological Polar Surface Area26 Ų
Heavy Atom Count10
Formal Charge0
Complexity118
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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