3',5'-Difluoroacetanilide

CAT: 0024-sc-507035Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-507035Size:1 g

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CAS Number

404-01-3

Chemical Information

1-Acetamido-3,5-difluorobenzene

CAS Number	404-01-3
PubChem CID	2774047
IUPAC Name	N-(3,5-difluorophenyl)acetamide
Molecular Formula	C8H7F2NO
Molecular Weight	171.14
XLogP	2.1
Topological Polar Surface Area	29.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	164

SMILES

CC(=O)NC1=CC(=CC(=C1)F)F

InChI

InChI=1S/C8H7F2NO/c1-5(12)11-8-3-6(9)2-7(10)4-8/h2-4H,1H3,(H,11,12)

InChIKey

LRIQXIIPEIRJRO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 404-01-3

CID: 2774047

Formula: C8H7F2NO

MW: 171.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	171.14
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	171.04957017
Monoisotopic Mass	171.04957017
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	164
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-283432	2,5-Difluoroacetanilide
sc-507059	3',4'-Difluoroacetanilide
sc-275537	2',4'-Difluoroacetanilide
sc-281655	2-Chloro-2',4'-difluoroacetanilide
sc-209721B	3,5,3',5'-Tetrachlorobisphenol A
sc-209721	3,5,3',5'-Tetrachlorobisphenol A
sc-208442D	3,3',5,5'-Tetramethylbenzidine
sc-206023B	3′,3′′,5′,5′′-Tetraiodophenolsulfonephthalein
sc-206023	3′,3′′,5′,5′′-Tetraiodophenolsulfonephthalein
sc-476562	3,3',5,5'-Tetrabromobiphenyl

Catalog	Name
PC9978-01	3',5'-Difluoroacetanilide
PC8844	4'-Bromo-3',5'-difluoroacetanilide
PC9977	3',4'-Difluoroacetanilide
PC9973-01	2',5'-Difluoroacetanilide
PC51310-01	3-Amino-2,6-difluoroacetanilide
PC2569-01	2',4'-Difluoroacetanilide
GTR19252703-01	2',6'-Difluoroacetanilide
FC55183	2-Chloro-2',4'-difluoroacetanilide
HY-D0912	3,3',5,5'-Tetraethylbenzidine
426878-01	3,3',5,5'-Tetraisopropyldiphenoquinone