J-147

CAT: 0127-BUP13417-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP13417-02Size:10 mg

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

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CAS Number

1146963-51-0

Synonyms

J147

Purity

=98%

Smiles

COc1cccc(\C=N\N(C(=O)C(F)(F)F)c2ccc(C)cc2C)c1

Chemical Information

J147

J147 is an anilide.

CAS Number	1146963-51-0
PubChem CID	25229652
IUPAC Name	N-(2,4-dimethylphenyl)-2,2,2-trifluoro-N-[(E)-(3-methoxyphenyl)methylideneamino]acetamide
Molecular Formula	C18H17F3N2O2
Molecular Weight	350.3
XLogP	4.7
Topological Polar Surface Area	41.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	25
Formal Charge	0
Complexity	481

SMILES

CC1=CC(=C(C=C1)N(C(=O)C(F)(F)F)/N=C/C2=CC(=CC=C2)OC)C

InChI

InChI=1S/C18H17F3N2O2/c1-12-7-8-16(13(2)9-12)23(17(24)18(19,20)21)22-11-14-5-4-6-15(10-14)25-3/h4-11H,1-3H3/b22-11+

InChIKey

HYMZAYGFKNNHDN-SSDVNMTOSA-N

Chemical Structure

2D Structure

CAS: 1146963-51-0

CID: 25229652

Formula: C18H17F3N2O2

MW: 350.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	350.3
XLogP3	4.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	350.12421228
Monoisotopic Mass	350.12421228
Topological Polar Surface Area	41.9 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	481
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