DL- (3-Fluorophenyl) alanine

CAT: 0127-BIF4028-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-BIF4028-01Size:1 g

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CAS Number

456-88-2

MDL Number

MFCD00004273

Chemical Information

3-Fluorophenylalanine

p-fluorophenylalanine is a minor descriptor; RN given refers cpd with unspecified isomeric designation

CAS Number	456-88-2
PubChem CID	9976
IUPAC Name	2-amino-3-(3-fluorophenyl)propanoic acid
Molecular Formula	C9H10FNO2
Molecular Weight	183.18
XLogP	-1.9
Topological Polar Surface Area	63.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	186

SMILES

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

InChI

InChI=1S/C9H10FNO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)

InChIKey

VWHRYODZTDMVSS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 456-88-2

CID: 9976

Formula: C9H10FNO2

MW: 183.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	183.18
XLogP3	-1.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	183.06955672
Monoisotopic Mass	183.06955672
Topological Polar Surface Area	63.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	186
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
BIF4032-01	DL- (4-Fluorophenyl) alanine
BIF4030-01	DL- (2-Fluorophenyl) alanine
PC520527	4-Bromo-2-fluorophenyl-DL-alanine
PC520531	5-Bromo-2-fluorophenyl-DL-alanine
PC6500	3,3-Difluoro-3- (4-fluorophenyl) -DL-alanine hydrochloride
BUP19841	DL-Alanine
BIA0868-01	DL-Alanine
OR1037149	DL-Alanine-13C-3
OR480301-01	3-Bromophenyl-DL-alanine
OR452018-01	3-Cyclohexyl-DL-alanine

Catalog	Name
abx180018-01	(R)-3-(p-fluorophenyl)-beta-alanine
sc-269455	Methyl 3- (3-fluorophenyl) -D-alanine hydrochloride
IQB05074-01	((2-Fluorophenyl) sulfonyl) alanine
sc-338167	N-[ (4-fluorophenyl) sulfonyl]-beta-alanine
sc-330045	N- (4-Fluorophenyl) -N- (phenylsulfonyl) alanine
sc-263776A	N-Acetyl-2- (4-fluorophenyl) -DL-beta-alanine
sc-330046	N- (4-Fluorophenyl) -N-[ (4-methylphenyl) -sulfonyl]alanine
458327-01	N-Boc-beta-alanine-beta-4'-fluorophenyl-n-carboxyanhydride
sc-283416	Nα-[2,4-Dinitro-5-fluorophenyl]-D-alanine amide
FD48427-01	N-alpha-[2,4-Dinitro-5-fluorophenyl]-D-alanine amide