2,3-Difluoroaniline

CAT: 0127-PC2588-01Size: 5 gDry Ice: NoHazardous: No

1 / 1

CAT#:0127-PC2588-01Size:5 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

4519-40-8

MDL Number

MFCD00010298

Purity

98%

Smiles

Nc1cccc(F)c1F

Chemical Information

2,3-Difluoroaniline

CAS Number	4519-40-8
PubChem CID	78278
IUPAC Name	2,3-difluoroaniline
Molecular Formula	C6H5F2N
Molecular Weight	129.11
XLogP	1.4
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	97

SMILES

C1=CC(=C(C(=C1)F)F)N

InChI

InChI=1S/C6H5F2N/c7-4-2-1-3-5(9)6(4)8/h1-3H,9H2

InChIKey

YCCQGFYAVUTQFK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4519-40-8

CID: 78278

Formula: C6H5F2N

MW: 129.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	129.11
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	129.03900549
Monoisotopic Mass	129.03900549
Topological Polar Surface Area	26 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	97.1
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