2-Ethynyl-4-fluorobenzaldehyde

CAT: 0127-PC502251-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-PC502251-01Size:100 mg

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CAS Number

749874-24-6

MDL Number

MFCD18824363

Purity

97%

Smiles

Fc1ccc(C=O)c(c1)C#C

Chemical Information

2-Ethynyl-4-fluorobenzaldehyde

CAS Number	749874-24-6
PubChem CID	24795525
IUPAC Name	2-ethynyl-4-fluorobenzaldehyde
Molecular Formula	C9H5FO
Molecular Weight	148.13
XLogP	1.7
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	191

SMILES

C#CC1=C(C=CC(=C1)F)C=O

InChI

InChI=1S/C9H5FO/c1-2-7-5-9(10)4-3-8(7)6-11/h1,3-6H

InChIKey

KOLCSYHIVUAGEF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 749874-24-6

CID: 24795525

Formula: C9H5FO

MW: 148.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	148.13
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	148.032442941
Monoisotopic Mass	148.032442941
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	191
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
PC51170-01	4-Ethynyl-2-fluorobenzaldehyde
PC502254	3-Ethynyl-4-fluorobenzaldehyde
PC502256	4-Ethynyl-3-fluorobenzaldehyde
PC502252-01	2-Ethynyl-6-fluorobenzaldehyde
PC32735-01	2-Ethynyl-5-fluorobenzaldehyde
PC502253-01	3-Ethynyl-2-fluorobenzaldehyde
PC49599-01	5-Ethynyl-2-fluorobenzaldehyde
PC502250-01	2-Ethynyl-3-fluorobenzaldehyde
PC502255	3-Ethynyl-5-fluorobenzaldehyde
PC1025336	2-ethoxy-4-fluorobenzaldehyde

Catalog	Name
SAC50264-01	4-Ethynyl-2-fluorobenzaldehyde
QHC53511-01	5-Ethynyl-2-fluorobenzaldehyde
FC03941	2-Chloro-4-fluorobenzaldehyde
PYB35805-01	4- (Difluoromethoxy) -2-fluorobenzaldehyde
sc-277195	4-Chloro-2-fluorobenzaldehyde
sc-259609A	2-Bromo-4-fluorobenzaldehyde
sc-307873	2-Ethoxy-4-fluorobenzaldehyde
sc-321045	2- (Cyclopropylmethoxy) -4-fluorobenzaldehyde
sc-256694	4-Bromo-2-fluorobenzaldehyde
XSC22354-01	2-Cyclopropyl-4-fluorobenzaldehyde