3-Fluoro-4,5-dimethylaniline

CAT: 0127-PC1023261-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1023261-01Size:250 mg

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CAS Number

1125393-69-2

MDL Number

MFCD28550128

Purity

97%

Smiles

C1c (c (c (cc1N) C) C) F

Chemical Information

3-Fluoro-4,5-dimethylaniline

CAS Number	1125393-69-2
PubChem CID	69397165
IUPAC Name	3-fluoro-4,5-dimethylaniline
Molecular Formula	C8H10FN
Molecular Weight	139.17
XLogP	2.1
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	116

SMILES

CC1=CC(=CC(=C1C)F)N

InChI

InChI=1S/C8H10FN/c1-5-3-7(10)4-8(9)6(5)2/h3-4H,10H2,1-2H3

InChIKey

GFJMXWDGBZOPEK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1125393-69-2

CID: 69397165

Formula: C8H10FN

MW: 139.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	139.17
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	139.079727485
Monoisotopic Mass	139.079727485
Topological Polar Surface Area	26 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	116
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

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