Boc-Trp (6-Cl) -OH

CAT: 0127-OR1033212-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1033212-01Size:100 mg

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CAS Number

1234875-52-5

Purity

97%

Smiles

C([C@H](NC(OC(C)(C)C)=O)C(O)=O)C=1C=2C(NC1)=CC(Cl)=CC2

Chemical Information

L-N-Boc-6-chlorotryptophan

CAS Number	1234875-52-5
PubChem CID	52987865
IUPAC Name	(2S)-3-(6-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Molecular Formula	C16H19ClN2O4
Molecular Weight	338.78
XLogP	2.6
Topological Polar Surface Area	91.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	23
Formal Charge	0
Complexity	452

SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=C1C=CC(=C2)Cl)C(=O)O

InChI

InChI=1S/C16H19ClN2O4/c1-16(2,3)23-15(22)19-13(14(20)21)6-9-8-18-12-7-10(17)4-5-11(9)12/h4-5,7-8,13,18H,6H2,1-3H3,(H,19,22)(H,20,21)/t13-/m0/s1

InChIKey

QIUZGOVYNVWFFN-ZDUSSCGKSA-N

Chemical Structure

2D Structure

CAS: 1234875-52-5

CID: 52987865

Formula: C16H19ClN2O4

MW: 338.78

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	338.78
XLogP3	2.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	338.1033348
Monoisotopic Mass	338.1033348
Topological Polar Surface Area	91.4 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	452
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes