2-Fluoro-5-Formylbenzamide

CAT: 0127-PC108983-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-PC108983-01Size:100 mg

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CAS Number

1236289-88-5

Synonyms

2-fluoro-5-formylbenzamide

Purity

98%

Smiles

C1=CC(=C(C=C1C=O)C(=O)N)F

Chemical Information

2-Fluoro-5-formylbenzamide

CAS Number	1236289-88-5
PubChem CID	83383405
IUPAC Name	2-fluoro-5-formylbenzamide
Molecular Formula	C8H6FNO2
Molecular Weight	167.14
XLogP	0.4
Topological Polar Surface Area	60.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	195

SMILES

C1=CC(=C(C=C1C=O)C(=O)N)F

InChI

InChI=1S/C8H6FNO2/c9-7-2-1-5(4-11)3-6(7)8(10)12/h1-4H,(H2,10,12)

InChIKey

AGTYGTIAQKNLSW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1236289-88-5

CID: 83383405

Formula: C8H6FNO2

MW: 167.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	167.14
XLogP3	0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	167.03825660
Monoisotopic Mass	167.03825660
Topological Polar Surface Area	60.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	195
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
PC31576	3-cyano-2-fluoro-N-formylbenzamide
PC1016113-01	6-chloro-2-fluoro-3-formylbenzamide
OR955186-01	3-Formylbenzamide
OR1003888-01	N-Formylbenzamide
OR939349-01	4-Formylbenzamide
OR1096900-01	N-Cyclopropyl-3-formylbenzamide
OR1081908	N-Ethyl-3-formylbenzamide
OR1039502-01	4-Bromo-N, N-diethyl-2-formylbenzamide
OR1103064-01	N, N-Diethyl-4-formylbenzamide
PC1010188	5-Fluoro-2-isopropoxyisonicotinaldehyde

Catalog	Name
TRC-F234730-500MG	2-Fluoro-5-formylbenzamide
MDA96375-01	2-Formylbenzamide
MZC79764-01	N-Ethyl-2-formylbenzamide
sc-349530A	4-formylbenzamide
UDA67039-01	Rebamipide N-formylbenzamide
TRC-R234590-250MG	4-Chloro-N-formylbenzamide
sc-355620A	N-cyclopropyl-4-formylbenzamide
BFA92639-01	N-Ethyl-3-formylbenzamide
EEA47816-01	N-Ethyl-4-formylbenzamide
ICA28777-01	N, N-Diethyl-4-formylbenzamide