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CAT: 0024-sc-291904Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-291904Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
171778-06-6

Chemical Information

beta-(((9H-Fluoren-9-ylmethoxy)carbonyl)amino)-2-nitrobenzenepropanoic acid
CAS Number171778-06-6
PubChem CID6915691
IUPAC Name3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-nitrophenyl)propanoic acid
Molecular FormulaC24H20N2O6
Molecular Weight432.4
XLogP3.9
Topological Polar Surface Area121
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity672
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC(=O)O)C4=CC=CC=C4[N+](=O)[O-]
InChI
InChI=1S/C24H20N2O6/c27-23(28)13-21(19-11-5-6-12-22(19)26(30)31)25-24(29)32-14-20-17-9-3-1-7-15(17)16-8-2-4-10-18(16)20/h1-12,20-21H,13-14H2,(H,25,29)(H,27,28)
InChIKey
DRESTDPDCGPKNI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of beta-(((9H-Fluoren-9-ylmethoxy)carbonyl)amino)-2-nitrobenzenepropanoic acid
CAS: 171778-06-6
CID: 6915691
Formula: C24H20N2O6
MW: 432.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight432.4
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass432.13213636
Monoisotopic Mass432.13213636
Topological Polar Surface Area121 Ų
Heavy Atom Count32
Formal Charge0
Complexity672
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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