3-Bromo-5-fluorobenzamide

CAT: 0127-PC1005638-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1005638-01Size:250 mg

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CAS Number

933585-20-7

MDL Number

MFCD07780673

Purity

98%

Smiles

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

Chemical Information

3-Bromo-5-fluorobenzamide

CAS Number	933585-20-7
PubChem CID	43248499
IUPAC Name	3-bromo-5-fluorobenzamide
Molecular Formula	C7H5BrFNO
Molecular Weight	218.02
XLogP	1.6
Topological Polar Surface Area	43.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	165

SMILES

C1=C(C=C(C=C1F)Br)C(=O)N

InChI

InChI=1S/C7H5BrFNO/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H2,10,11)

InChIKey

CFWMRENFPXKUBG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 933585-20-7

CID: 43248499

Formula: C7H5BrFNO

MW: 218.02

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	218.02
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	216.95385
Monoisotopic Mass	216.95385
Topological Polar Surface Area	43.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	165
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
PC7597	5-Bromo-2-fluorobenzamide
PC5927	2-Bromo-5-fluorobenzamide
PC1014621-01	5-bromo-2-chloro-3-fluorobenzamide
PC303459	5-Bromo-3-chloro-2-fluorobenzamide
PC1009040	3-Bromo-N-cyclopropyl-5-fluorobenzamide
PC1010313-01	3-Bromo-N-cyclohexyl-5-fluorobenzamide
PC6966-01	3-Bromo-2-fluorobenzamide
PC446147-01	4-Bromo-3-fluorobenzamide
PC1004711-01	2-Bromo-3-fluorobenzamide
PC7598	3-Bromo-4-fluorobenzamide

Catalog	Name
424447-01	3-Bromo-5-fluorobenzamide
447151-01	Dimethyl 3-Bromo-5-fluorobenzamide
446797-01	Diethyl 3-Bromo-5-fluorobenzamide
sc-298296	2-Bromo-5-fluorobenzamide
sc-357028	5-Bromo-2-fluorobenzamide
424600-01	3-Bromo-N-cyclopentyl-5-fluorobenzamide
VBC57035-01	2-Amino-5-bromo-3-fluorobenzamide
424606-01	3-Bromo-N-ethyl-5-fluorobenzamide
424602-01	3-Bromo-N-cyclopropyl-5-fluorobenzamide
430979-01	4-Bromo-3-fluorobenzamide