3,5-Difluoroaniline

CAT: 0024-sc-232096Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-232096Size:1 g

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CAS Number

372-39-4

Chemical Information

3,5-Difluoroaniline

structure in first source

CAS Number	372-39-4
PubChem CID	96595
IUPAC Name	3,5-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	87

SMILES

C1=C(C=C(C=C1F)F)N

InChI

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

InChIKey

KQOIBXZRCYFZSO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 372-39-4

CID: 96595

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	87.1
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

Catalog	Name
abx185104-01	3,5-Difluoroaniline
PC48396-01	3-Bromo-2,5-difluoroaniline
PC403181	4- (Cyclobutylmethoxy) -3,5-difluoroaniline
AFC06868-01	5-Bromo-2,3-difluoroaniline
416631-01	2-Chloro-3,5-difluoroaniline
PC110194-01	4- (Benzyloxy) -3,5-difluoroaniline
PC302235-01	2-Ethoxy-3,5-difluoroaniline
PC102934-01	4-Ethynyl-3,5-difluoroaniline
PC48596	5-Chloro-2,3-difluoroaniline
PC0968-01	4-Bromo-3,5-difluoroaniline