p-Fluoro-Alpha-acetamidocinnamic Acid

CAT: 0572-TRC-F587000-1GSize: 1 gDry Ice: NoHazardous: No

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CAT#:0572-TRC-F587000-1GSize:1 g

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CAS Number

111649-72-0

Hazard Statement

No Data Available

Purity

>95% (HPLC)

Smiles

CC(=O)N\C(=C\c1ccc(F)cc1)\C(=O)O

Molecular Formula

C11 H10 F N O3

Molecular Weight

223.2

InChI

InChI=1S/C11H10FNO3/c1-7(14)13-10(11(15)16)6-8-2-4-9(12)5-3-8/h2-6H,1H3,(H,13,14)(H,15,16)/b10-6+

Additionnal Information

IUPAC name: (E)-2-acetamido-3-(4-fluorophenyl)prop-2-enoic acid

Shipping Conditions

Room Temperature

Storage Conditions

-20°C

Chemical Information

p-Fluoro-alpha-acetamidocinnamic Acid

CAS Number	111649-72-0
PubChem CID	739166
IUPAC Name	2-acetamido-3-(4-fluorophenyl)prop-2-enoic acid
Molecular Formula	C11H10FNO3
Molecular Weight	223.20
XLogP	1.4
Topological Polar Surface Area	66.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	306

SMILES

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

InChI

InChI=1S/C11H10FNO3/c1-7(14)13-10(11(15)16)6-8-2-4-9(12)5-3-8/h2-6H,1H3,(H,13,14)(H,15,16)

InChIKey

PYGHVJGHLGZANA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 111649-72-0

CID: 739166

Formula: C11H10FNO3

MW: 223.20

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	223.20
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	223.06447134
Monoisotopic Mass	223.06447134
Topological Polar Surface Area	66.4 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	306
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
MBS6093208-01	p-Fluoro-a-acetamidocinnamic Acid
sc-212502	P-Fluoro-α-acetamidocinnamic Acid
OR5000T-01	Alpha-Acetamidocinnamic acid
A00870-01	P-Acetamidocinnamic acid 97%
HY-W037875-01	α-Acetamidocinnamic acid
HY-W037875R	α-Acetamidocinnamic acid (Standard)
FA70687-01	4-Acetamidocinnamic acid
A00860-01	A-Acetamidocinnamic Acid 98%
MBS6086683-01	2-Trifluoromethyl-a-acetamidocinnamic Acid
sc-209265	2-Trifluoromethyl-α-acetamidocinnamic Acid

p-Fluoro-Alpha-acetamidocinnamic Acid

Chemical Information

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