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Fmoc-Phe (2-Cl) -OH

CAT: 0024-sc-228202Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-228202Size:1 g
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CAS Number
198560-41-7

Chemical Information

(2S)-3-(2-chlorophenyl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid
CAS Number198560-41-7
PubChem CID2761464
IUPAC Name(2S)-3-(2-chlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Molecular FormulaC24H20ClNO4
Molecular Weight421.9
XLogP5.3
Topological Polar Surface Area75.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity592
SMILES
C1=CC=C(C(=C1)C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)Cl
InChI
InChI=1S/C24H20ClNO4/c25-21-12-6-1-7-15(21)13-22(23(27)28)26-24(29)30-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h1-12,20,22H,13-14H2,(H,26,29)(H,27,28)/t22-/m0/s1
InChIKey
RNNKPNPLIMFSDY-QFIPXVFZSA-N
Chemical Structure
2D Structure
2D structure of (2S)-3-(2-chlorophenyl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid
CAS: 198560-41-7
CID: 2761464
Formula: C24H20ClNO4
MW: 421.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight421.9
XLogP35.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass421.1080858
Monoisotopic Mass421.1080858
Topological Polar Surface Area75.6 Ų
Heavy Atom Count30
Formal Charge0
Complexity592
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