Ani9

CAT: 0127-BUP07892-06Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP07892-06Size:500 mg

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

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CAS Number

356102-14-2

Synonyms

Ani 9, Ani-9, Apelin-12 acetate (229961-08-4 Free base)

Purity

=98%

Smiles

COc1ccccc1\C=N\NC(=O)COc1ccc(Cl)cc1C

Chemical Information

2-(4-Chloro-2-methylphenoxy)-N'-(2-methoxybenzylidene)acetohydrazide

CAS Number	356102-14-2
PubChem CID	9556542
IUPAC Name	2-(4-chloro-2-methylphenoxy)-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
Molecular Formula	C17H17ClN2O3
Molecular Weight	332.8
XLogP	3.8
Topological Polar Surface Area	59.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	23
Formal Charge	0
Complexity	405

SMILES

CC1=C(C=CC(=C1)Cl)OCC(=O)N/N=C/C2=CC=CC=C2OC

InChI

InChI=1S/C17H17ClN2O3/c1-12-9-14(18)7-8-15(12)23-11-17(21)20-19-10-13-5-3-4-6-16(13)22-2/h3-10H,11H2,1-2H3,(H,20,21)/b19-10+

InChIKey

KDALDZRKOBJXIE-VXLYETTFSA-N

Chemical Structure

2D Structure

CAS: 356102-14-2

CID: 9556542

Formula: C17H17ClN2O3

MW: 332.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	332.8
XLogP3	3.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	332.0927701
Monoisotopic Mass	332.0927701
Topological Polar Surface Area	59.9 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	405
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BUP13531-01	ANI-7
OR1614-01	3-Anilinoacraldehyde anil hydrochloride

Catalog	Name
BA6632-5	Ani9