2-fluoroisophthalaldehyde

CAT: 0127-PC1023967Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

170502-72-4

MDL Number

MFCD18805377

Purity

97%

Smiles

C1 (cccc (c1F) C=O) C=O

Chemical Information

2-Fluoroisophthalaldehyde

CAS Number	170502-72-4
PubChem CID	23496605
IUPAC Name	2-fluorobenzene-1,3-dicarbaldehyde
Molecular Formula	C8H5FO2
Molecular Weight	152.12
XLogP	0.9
Topological Polar Surface Area	34.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	142

SMILES

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

InChI

InChI=1S/C8H5FO2/c9-8-6(4-10)2-1-3-7(8)5-11/h1-5H

InChIKey

VUNMAAXEGSILLF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 170502-72-4

CID: 23496605

Formula: C8H5FO2

MW: 152.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	152.12
XLogP3	0.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	152.02735756
Monoisotopic Mass	152.02735756
Topological Polar Surface Area	34.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	142
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

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