4-Chloro-2-fluorocinnamic acid

CAT: 0024-sc-277197Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-277197Size:5 g

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CAS Number

202982-65-8

Chemical Information

3-(4-Chloro-2-fluorophenyl)-2-propenoic acid

CAS Number	202982-65-8
PubChem CID	2724911
IUPAC Name	3-(4-chloro-2-fluorophenyl)prop-2-enoic acid
Molecular Formula	C9H6ClFO2
Molecular Weight	200.59
XLogP	2.6
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	218

SMILES

C1=CC(=C(C=C1Cl)F)C=CC(=O)O

InChI

InChI=1S/C9H6ClFO2/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-5H,(H,12,13)

InChIKey

FVLPOWWRHAOKMT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 202982-65-8

CID: 2724911

Formula: C9H6ClFO2

MW: 200.59

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	200.59
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	200.0040353
Monoisotopic Mass	200.0040353
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	218
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

Catalog	Name
sc-265553	2-Chloro-4-fluorocinnamic acid
sc-312788A	3-Chloro-4-fluorocinnamic acid
sc-312788	3-Chloro-4-fluorocinnamic acid
sc-312689	3-Chloro-2-fluorocinnamic acid
sc-312689A	3-Chloro-2-fluorocinnamic acid
sc-232722	4-Fluorocinnamic acid
sc-226520	4-Bromo-2-fluorocinnamic acid
sc-230343	2-Fluorocinnamic acid
sc-274578	2-Chloro-6-fluorocinnamic acid, predominantly trans
sc-233771	α-Fluorocinnamic acid

Catalog	Name
FC67942	4-Chloro-2-fluorocinnamic acid
PC8152-01	2-Chloro-4-fluorocinnamic acid
PC104032-01	3-Chloro-4-fluorocinnamic acid
PC8154-01	4-Chloro-3-fluorocinnamic acid
PC0081-01	3-Chloro-2-fluorocinnamic acid
PC5447	2-Chloro-6-fluorocinnamic acid
PC302209-01	4-Chloro-3-ethoxy-2-fluorocinnamic acid
FF30854-01	4-Fluorocinnamic acid
415897-01	2-Bromo-4-fluorocinnamic acid
PC302946	3-Chloro-4-ethoxy-5-fluorocinnamic acid