SDH-IN-2

CAT: 0607-BA1780-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0607-BA1780-25Size:25 mg

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

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CAS Number

1823354-06-8

Form

A solid

Molecular Formula

C10H6F3NO

Molecular Weight

213.16

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Sdh-IN-2

CAS Number	1823354-06-8
PubChem CID	141496757
IUPAC Name	N-[4-(trifluoromethyl)phenyl]prop-2-ynamide
Molecular Formula	C10H6F3NO
Molecular Weight	213.16
XLogP	3
Topological Polar Surface Area	29.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	15
Formal Charge	0
Complexity	281

SMILES

C#CC(=O)NC1=CC=C(C=C1)C(F)(F)F

InChI

InChI=1S/C10H6F3NO/c1-2-9(15)14-8-5-3-7(4-6-8)10(11,12)13/h1,3-6H,(H,14,15)

InChIKey

CXLSLWORVFXLKL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1823354-06-8

CID: 141496757

Formula: C10H6F3NO

MW: 213.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	213.16
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	213.04014830
Monoisotopic Mass	213.04014830
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	281
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