6-Bromo-DL-tryptophan

CAT: 0926-FB52240-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-FB52240-01Size:0.5 g

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CAS Number

33599-61-0

Synonyms

DL-2-Amino-3- (6-bromoindolyl) propionic acid

MDL Number

MFCD00055988

Smiles

C1=CC2=C (C=C1Br) NC=C2CC (C (=O) O) N

Molecular Formula

C11H11BrN2O2

Molecular Weight

283.12 g/mol

Controlled

Chemical Information

6-Bromo-DL-tryptophan

CAS Number	33599-61-0
PubChem CID	3496442
IUPAC Name	2-amino-3-(6-bromo-1H-indol-3-yl)propanoic acid
Molecular Formula	C11H11BrN2O2
Molecular Weight	283.12
XLogP	-0.2
Topological Polar Surface Area	79.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	275

SMILES

C1=CC2=C(C=C1Br)NC=C2CC(C(=O)O)N

InChI

InChI=1S/C11H11BrN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16)

InChIKey

OAORYCZPERQARS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 33599-61-0

CID: 3496442

Formula: C11H11BrN2O2

MW: 283.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	283.12
XLogP3	-0.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	282.00039
Monoisotopic Mass	282.00039
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