2-Fluoro-2- (2-fluorophenyl) acetic acid

CAT: 0127-PC111674-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-PC111674-01Size:50 mg

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CAS Number

915070-97-2

Purity

97%

Smiles

O=C(O)C(F)C1=CC=CC=C1F

Chemical Information

2-Fluoro-2-(2-fluorophenyl)acetic acid

CAS Number	915070-97-2
PubChem CID	53400440
IUPAC Name	2-fluoro-2-(2-fluorophenyl)acetic acid
Molecular Formula	C8H6F2O2
Molecular Weight	172.13
XLogP	2
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	172

SMILES

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

InChI

InChI=1S/C8H6F2O2/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7H,(H,11,12)

InChIKey

YXKCMBBVFIKJEG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 915070-97-2

CID: 53400440

Formula: C8H6F2O2

MW: 172.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	172.13
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	172.03358575
Monoisotopic Mass	172.03358575
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	172
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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Catalog	Name
QLB07097	2-Fluoro-2- (2-fluorophenyl) acetic acid
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EKC79794-01	2-Fluoro-2- (4-fluorophenyl) acetic acid
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MBS3848345-01	2-Amino-2-(2-fluorophenyl)acetic acid
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HY-W026894-01	2-Amino-2- (2-fluorophenyl) acetic acid
WVB74723-01	2- (2-Fluorophenyl) -2- (phenylamino) acetic acid
AAC77980-01	2,2-Difluoro-2- (2-fluorophenyl) acetic acid
UFC16875-01	2-Fluoro-2- (2-fluorophenyl) propanoic acid