(2E) -3- (2,4-Dichlorophenyl) acrylic acid

CAT: 0926-FD121514-01Size: 1000 mgDry Ice: NoHazardous: No

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CAT#:0926-FD121514-01Size:1000 mg

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CAS Number

20595-45-3

Synonyms

2-propenoic acid, 3- (2,4-dichlorophenyl) -, (2E) -

MDL Number

MFCD00004373

Smiles

C1=CC (=C (C=C1Cl) Cl) /C=C/C (=O) O

Molecular Formula

C9H6Cl2O2

Molecular Weight

217.05 g/mol

Controlled

Chemical Information

2,4-Dichlorocinnamic acid, (E)-

CAS Number	20595-45-3
PubChem CID	688026
IUPAC Name	(E)-3-(2,4-dichlorophenyl)prop-2-enoic acid
Molecular Formula	C9H6Cl2O2
Molecular Weight	217.05
XLogP	3
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	216

SMILES

C1=CC(=C(C=C1Cl)Cl)/C=C/C(=O)O

InChI

InChI=1S/C9H6Cl2O2/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+

InChIKey

MEBWABJHRAYGFW-DUXPYHPUSA-N

Chemical Structure

2D Structure

CAS: 20595-45-3

CID: 688026

Formula: C9H6Cl2O2

MW: 217.05

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	217.05
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	215.9744848
Monoisotopic Mass	215.9744848
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	216
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

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