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Boc-Phe (4-Cl) -OH 5000mg

CAT: 0628-A23015-5000Size: 5000 mgDry Ice: NoHazardous: No
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CAT#:0628-A23015-5000Size:5000 mg
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CAS Number
68090-88-0

Chemical Information

N-(tert-Butoxycarbonyl)-4-chloro-L-phenylalanine
CAS Number68090-88-0
PubChem CID2734499
IUPAC Name(2S)-3-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Molecular FormulaC14H18ClNO4
Molecular Weight299.75
XLogP2.4
Topological Polar Surface Area75.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count20
Formal Charge0
Complexity346
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)Cl)C(=O)O
InChI
InChI=1S/C14H18ClNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
InChIKey
BETBOAZCLSJOBQ-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of N-(tert-Butoxycarbonyl)-4-chloro-L-phenylalanine
CAS: 68090-88-0
CID: 2734499
Formula: C14H18ClNO4
MW: 299.75
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight299.75
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass299.0924357
Monoisotopic Mass299.0924357
Topological Polar Surface Area75.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity346
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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HY-W008486-01Boc-Phe (4-Cl) -OH
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HY-W016018-01Boc-D-Phe (4-Cl) -OH
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