4-Fluoro-3-methylaniline

CAT: 0127-PC3820-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-PC3820-01Size:25 g

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CAS Number

452-69-7

Synonyms

5-Amino-2-fluorotoluene

MDL Number

MFCD00025294

Purity

98%

Smiles

Cc1cc(N)ccc1F

Storage Conditions

Store at 2-8°C

Chemical Information

4-Fluoro-m-toluidine

CAS Number	452-69-7
PubChem CID	67981
IUPAC Name	4-fluoro-3-methylaniline
Molecular Formula	C7H8FN
Molecular Weight	125.14
XLogP	2.3
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=C(C=CC(=C1)N)F

InChI

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

InChIKey

NYMDPDNETOLVBS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 452-69-7

CID: 67981

Formula: C7H8FN

MW: 125.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	125.14
XLogP3	2.3
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
PC3818-01	3-Fluoro-4-methylaniline
PC1008985-01	4-chloro-3-fluoro-2-methylaniline
PC100309-01	3-Chloro-4-fluoro-N-methylaniline
PC14565	3-Bromo-4-fluoro-2-methylaniline
PC1002805-01	3-Chloro-2-fluoro-4-methylaniline
PC501223-01	4-Bromo-2-fluoro-3-methylaniline
PC500359	4-Fluoro-2-methoxy-3-methylaniline
PC49448	4-Chloro-2-fluoro-3-methylaniline
PC500335	4-Fluoro-2-iodo-3-methylaniline
PC1001615-01	4-Fluoro-3-methoxy-N-methylaniline

Catalog	Name
FF104392-01	3-Fluoro-4-methylaniline
sc-232698	4-Fluoro-3-methylaniline
432295-01	4-Fluoro-2-methylaniline
sc-254241	2-Fluoro-4-methylaniline
GEC11307	4-bromo-3-fluoro-5-methylaniline
CFA40803	4-Bromo-3-fluoro-2-methylaniline
sc-232711	4-Fluoro-N-methylaniline
424297-01	3-Bromo-4-fluoro-2-methylaniline
WTB98982-01	3-Fluoro-4-methoxy-N-methylaniline
JH918482	4-Fluoro-3-methoxy-N-methylaniline