4-Fluoro-DL-tryptophan

CAT: 0024-sc-280436Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-280436Size:50 mg

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CAS Number

25631-05-4

Chemical Information

4-Fluorotryptophan

RN given refers to cpd without isomeric designation

CAS Number	25631-05-4
PubChem CID	101198
IUPAC Name	2-amino-3-(4-fluoro-1H-indol-3-yl)propanoic acid
Molecular Formula	C11H11FN2O2
Molecular Weight	222.22
XLogP	-1.1
Topological Polar Surface Area	79.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	275

SMILES

C1=CC2=C(C(=C1)F)C(=CN2)CC(C(=O)O)N

InChI

InChI=1S/C11H11FN2O2/c12-7-2-1-3-9-10(7)6(5-14-9)4-8(13)11(15)16/h1-3,5,8,14H,4,13H2,(H,15,16)

InChIKey

DEBQMEYEKKWIKC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 25631-05-4

CID: 101198

Formula: C11H11FN2O2

MW: 222.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	222.22
XLogP3	-1.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	222.08045576
Monoisotopic Mass	222.08045576
Topological Polar Surface Area	79.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	275
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
FF52316-01	4-Fluoro-DL-tryptophan
C5214-500	6-fluoro-DL-Tryptophan
233166-01	4-Fluoro-DL-tryptophan ≥97% (HPLC)
PC4377Z-01	5-Fluoro-DL-tryptophan
PC530034-01	7-Fluoro-DL-tryptophan
PC27889	Fmoc-6-Fluoro-DL-tryptophan
234705-01	6-Fluoro-DL-tryptophan 98+%
PC7894-01	5-Fluoro-DL-tryptophan ethyl ester
234198-01	5-Fluoro-DL-tryptophan ≥97% (HPLC)
BIB6111-01	4-Methyl-DL-tryptophan