3-Fluoro-5-methylaniline

CAT: 0127-PC5923-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-PC5923-01Size:1 g

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CAS Number

52215-41-5

Synonyms

3-Amino-5-fluorotoluene, 5-Fluoro-m-toluidine

MDL Number

MFCD00077538

Purity

97%

Smiles

Cc1cc(N)cc(F)c1

Chemical Information

3-Fluoro-5-methylaniline

CAS Number	52215-41-5
PubChem CID	2778458
IUPAC Name	3-fluoro-5-methylaniline
Molecular Formula	C7H8FN
Molecular Weight	125.14
XLogP	1.7
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	94

SMILES

CC1=CC(=CC(=C1)F)N

InChI

InChI=1S/C7H8FN/c1-5-2-6(8)4-7(9)3-5/h2-4H,9H2,1H3

InChIKey

DPHBKGYVIHTBDG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 52215-41-5

CID: 2778458

Formula: C7H8FN

MW: 125.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	125.14
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	125.064077422
Monoisotopic Mass	125.064077422
Topological Polar Surface Area	26 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	94.9
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PC4433-01	2-Fluoro-5-methylaniline
PC3822-01	5-Fluoro-2-methylaniline
PC49276-01	5-Fluoro-2-methylaniline
PC10464-01	3-Bromo-2-fluoro-5-methylaniline
PC1002027-01	3-Fluoro-2-iodo-5-methylaniline
PC500365-01	2-Bromo-5-fluoro-3-methylaniline
PC910627	3-Cyclopropoxy-5-fluoro-N-methylaniline
PC500354	5-Fluoro-2-iodo-3-methylaniline
PC1005626-01	5-Bromo-2-fluoro-3-methylaniline
PC1006984-01	3-Fluoro-2-methoxy-5-methylaniline