3-Fluoro-2-methylaniline

CAT: 0127-PC3817L-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-PC3817L-01Size:25 g

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CAS Number

443-86-7

Synonyms

2-Amino-6-fluorotoluene, 3-Fluoro-o-toluidine

MDL Number

MFCD00007760

Purity

99%

Smiles

Cc1c(N)cccc1F

Chemical Information

3-Fluoro-2-methylaniline

CAS Number	443-86-7
PubChem CID	285553
IUPAC Name	3-fluoro-2-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=C(C=CC=C1F)N

InChI

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

InChIKey

SLDLVGFPFFLYBM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 443-86-7

CID: 285553

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
PC8849-01	2-Fluoro-3-methylaniline
PC500340-01	2-Bromo-4-fluoro-3-methylaniline
PC100451-01	3-Bromo-6-fluoro-2-methylaniline
PC10464-01	3-Bromo-2-fluoro-5-methylaniline
PC14565	3-Bromo-4-fluoro-2-methylaniline
PC5923-01	3-Fluoro-5-methylaniline
PC1004500-01	2-Bromo-6-fluoro-3-methylaniline
PC1002805-01	3-Chloro-2-fluoro-4-methylaniline
PC1002329-01	2-Bromo-3-fluoro-6-methylaniline
PC1002027-01	3-Fluoro-2-iodo-5-methylaniline