2-Bromo-3- (4-fluorophenyl) propanamide

CAT: 0926-LIC70599-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-LIC70599-01Size:50 mg

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CAS Number

1461705-99-6

MDL Number

MFCD25970352

Smiles

C1=CC (=CC=C1CC (C (=O) N) Br) F

Molecular Formula

C9H9BrFNO

Molecular Weight

246.08 g/mol

Controlled

Chemical Information

2-Bromo-3-(4-fluorophenyl)propanamide

CAS Number	1461705-99-6
PubChem CID	75480645
IUPAC Name	2-bromo-3-(4-fluorophenyl)propanamide
Molecular Formula	C9H9BrFNO
Molecular Weight	246.08
XLogP	2
Topological Polar Surface Area	43.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	180

SMILES

C1=CC(=CC=C1CC(C(=O)N)Br)F

InChI

InChI=1S/C9H9BrFNO/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8H,5H2,(H2,12,13)

InChIKey

ISLSMDMOUXWHQC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1461705-99-6

CID: 75480645

Formula: C9H9BrFNO

MW: 246.08

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	246.08
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	244.98515
Monoisotopic Mass	244.98515
Topological Polar Surface Area	43.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	180
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
VHA39025-01	3-Bromo-N- (3-fluorophenyl) propanamide
ABA46867-01	3- (4-Fluorophenyl) propanamide
YTB35419-01	3-[ (4-Fluorophenyl) sulfanyl]propanamide
AKB85884-01	3-[ (4-Fluorophenyl) amino]propanamide
LIC70831-01	2-Bromo-3- (4-chlorophenyl) propanamide
NRB29366-01	3-Amino-2-[ (4-fluorophenyl) methyl]propanamide
HWB06076-01	3-[ (4-Cyano-2-fluorophenyl) amino]propanamide
XTB78962-01	3-[ (2-Fluorophenyl) sulfanyl]propanamide
FC58936	3-Chloro-N- (4-fluorophenyl) propanamide
FC127357-01	2-Chloro-N- (4-fluorophenyl) propanamide

Catalog	Name
422766-01	3- (4-Bromo-2-fluorophenyl) propanamide
PC107033	2-Bromo-N- (4-fluorophenyl) propanamide
PC31961-01	3-Bromo-N- (2-fluorophenyl) propanamide
TRC-B685933-100MG	3-[(5-Bromo-2-fluorophenyl)amino]propanamide
423436-01	3-[ (5-Bromo-2-fluorophenyl) amino]propanamide
PC1002922-01	3- (4-Fluorophenyl) propanamide
414540-01	2-[ (5-Bromo-2-fluorophenyl) amino]propanamide
TRC-B693903-100MG	2-[(5-Bromo-2-fluorophenyl)amino]propanamide
RG-A263737-01	3-amino-3- (4-fluorophenyl) propanamide
OR21011	2-bromo-N- (4-bromo-3-chlorophenyl) propanamide