2-Fluoro-5-methylaniline

CAT: 0024-sc-225388Size: 25 mLDry Ice: NoHazardous: No

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CAT#:0024-sc-225388Size:25 mL

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CAS Number

452-84-6

Chemical Information

2-Fluoro-5-methylaniline

CAS Number	452-84-6
PubChem CID	262970
IUPAC Name	2-fluoro-5-methylaniline
Molecular Formula	C7H8FN
Molecular Weight	125.14
XLogP	1.4
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(=C(C=C1)F)N

InChI

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

InChIKey

QZUXMXZNVAJNSE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 452-84-6

CID: 262970

Formula: C7H8FN

MW: 125.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	125.14
XLogP3	1.4
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
sc-254821	5-Fluoro-2-methylaniline
sc-323003	4-Bromo-5-fluoro-2-methylaniline
sc-233289	5-Bromo-4-fluoro-2-methylaniline
sc-299737	5-Bromo-2-fluoro-4-methylaniline
sc-281657	2-Chloro-4-fluoro-5-methylaniline
sc-299737A	5-Bromo-2-fluoro-4-methylaniline
sc-259640A	2-Bromo-5-fluoro-4-methylaniline
sc-323003A	4-Bromo-5-fluoro-2-methylaniline
sc-259640	2-Bromo-5-fluoro-4-methylaniline
sc-254241	2-Fluoro-4-methylaniline

Catalog	Name
GTR19251258-01	5-Fluoro-2-methylaniline
417934-01	2-Fluoro-5-methylaniline
276095-01	3-Fluoro-5-methylaniline
FB67813-01	4-Bromo-5-fluoro-2-methylaniline
SZB33943	5-Chloro-4-fluoro-2-methylaniline
234183-01	5-Fluoro-2-methylaniline 98+% (GC)
457923-01	N-Acetyl 5-fluoro-2-methylaniline
TRC-F632768-1G	2-Fluoro-5-Iodo-4-Methylaniline
PC906963-01	5-Chloro-2-fluoro-4-methylaniline
PC7405-01	2-Bromo-5-fluoro-4-methylaniline