Boc-Phe (2-Cl) -OH

CAT: 0024-sc-223838ASize: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-223838ASize:5 g

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CAS Number

114873-02-8

Chemical Information

Boc-2-chloro-L-phenylalanine

CAS Number	114873-02-8
PubChem CID	2761463
IUPAC Name	(2S)-3-(2-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Molecular Formula	C14H18ClNO4
Molecular Weight	299.75
XLogP	3.1
Topological Polar Surface Area	75.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	20
Formal Charge	0
Complexity	354

SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1Cl)C(=O)O

InChI

InChI=1S/C14H18ClNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-6-4-5-7-10(9)15/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1

InChIKey

TUUQJNHCVFJMPU-NSHDSACASA-N

Chemical Structure

2D Structure

CAS: 114873-02-8

CID: 2761463

Formula: C14H18ClNO4

MW: 299.75

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	299.75
XLogP3	3.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	299.0924357
Monoisotopic Mass	299.0924357
Topological Polar Surface Area	75.6 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	354
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