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2-Fluoro-4-methylaniline

CAT: 0127-PC3817KS-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-PC3817KS-01Size:1 g
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CAS Number
452-80-2
Synonyms
4-Amino-3-fluorotoluene, 2-Fluoro-p-toluidine
MDL Number
MFCD00040975
Purity
99%
Smiles
Cc1ccc(N)c(F)c1

Chemical Information

2-Fluoro-4-methylaniline

structure in first source

CAS Number452-80-2
PubChem CID67984
IUPAC Name2-fluoro-4-methylaniline
Molecular FormulaC7H8FN
Molecular Weight125.14
XLogP1.4
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity94
SMILES
CC1=CC(=C(C=C1)N)F
InChI
InChI=1S/C7H8FN/c1-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3
InChIKey
ZQEXBVHABAJPHJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Fluoro-4-methylaniline
CAS: 452-80-2
CID: 67984
Formula: C7H8FN
MW: 125.14
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight125.14
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass125.064077422
Monoisotopic Mass125.064077422
Topological Polar Surface Area26 Ų
Heavy Atom Count9
Formal Charge0
Complexity94.9
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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