Fluralaner Impurity 9

CAT: 1596-AR-F10509-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-F10509-02Size:25 Units

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

503470-23-3

Molecular Formula

C9H8O3

Molecular Weight

164.16

API Name

Fluralaner

Chemical Information

4-Formyl-2-methylbenzoic acid

CAS Number	503470-23-3
PubChem CID	20774871
IUPAC Name	4-formyl-2-methylbenzoic acid
Molecular Formula	C9H8O3
Molecular Weight	164.16
XLogP	1.3
Topological Polar Surface Area	54.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	188

SMILES

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

InChI

InChI=1S/C9H8O3/c1-6-4-7(5-10)2-3-8(6)9(11)12/h2-5H,1H3,(H,11,12)

InChIKey

OIWOOOJFKXTXKV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 503470-23-3

CID: 20774871

Formula: C9H8O3

MW: 164.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	164.16
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	164.047344113
Monoisotopic Mass	164.047344113
Topological Polar Surface Area	54.4 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	188
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