Boc-Phe (4-Br) -OH

CAT: 0024-sc-257179Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-257179Size:1 g

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CAS Number

62129-39-9

Chemical Information

(2S)-3-(4-bromophenyl)-2-{[(tert-butoxy)carbonyl]amino}propanoic acid

CAS Number	62129-39-9
PubChem CID	2734477
IUPAC Name	(2S)-3-(4-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Molecular Formula	C14H18BrNO4
Molecular Weight	344.20
XLogP	2.5
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	346

SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)Br)C(=O)O

InChI

InChI=1S/C14H18BrNO4/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

ULNOXUAEIPUJMK-NSHDSACASA-N

Chemical Structure

2D Structure

CAS: 62129-39-9

CID: 2734477

Formula: C14H18BrNO4

MW: 344.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	344.20
XLogP3	2.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	343.04192
Monoisotopic Mass	343.04192
Topological Polar Surface Area	75.6 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	346
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