(E) -methyl 3- (2,3-difluorophenyl) acrylate

CAT: 0127-PC1022840Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-PC1022840Size:1 g

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CAS Number

1363402-34-9

MDL Number

MFCD24134896

Purity

97%

Smiles

C1cc (c (c (c1) /C=C/C (=O) OC) F) F

Chemical Information

(E)-Methyl 3-(2,3-difluorophenyl)acrylate

CAS Number	1363402-34-9
PubChem CID	81605344
IUPAC Name	methyl (E)-3-(2,3-difluorophenyl)prop-2-enoate
Molecular Formula	C10H8F2O2
Molecular Weight	198.17
XLogP	2.4
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	228

SMILES

COC(=O)/C=C/C1=C(C(=CC=C1)F)F

InChI

InChI=1S/C10H8F2O2/c1-14-9(13)6-5-7-3-2-4-8(11)10(7)12/h2-6H,1H3/b6-5+

InChIKey

JXNDWCFVMLOUHP-AATRIKPKSA-N

Chemical Structure

2D Structure

CAS: 1363402-34-9

CID: 81605344

Formula: C10H8F2O2

MW: 198.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	198.17
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	198.04923582
Monoisotopic Mass	198.04923582
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	228
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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