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CAT: 1299-RM-F131523-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-F131523-02Size:25 mg
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CAS Number
126828-35-1
Synonyms
2- (4- (((((9H-fluoren-9-yl) methoxy) carbonyl) amino) (2,4-dimethoxyphenyl) methyl) phenoxy) acetic acid
Molecular Formula
C32H29NO7
Molecular Weight
539.58
Product Name Synonym
2- (4- (((((9H-fluoren-9-yl) methoxy) carbonyl) amino) (2,4-dimethoxyphenyl) methyl) phenoxy) acetic acid

Chemical Information

N-(1-Fluorenyl-methoxycarbonyl)-(4-((2,4-dimethoxyphenyl)amino)phenoxy)acetic acid
CAS Number126828-35-1
PubChem CID2761459
IUPAC Name2-[4-[(2,4-dimethoxyphenyl)-(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenoxy]acetic acid
Molecular FormulaC32H29NO7
Molecular Weight539.6
XLogP5.8
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count40
Formal Charge0
Complexity808
SMILES
COC1=CC(=C(C=C1)C(C2=CC=C(C=C2)OCC(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)OC
InChI
InChI=1S/C32H29NO7/c1-37-22-15-16-27(29(17-22)38-2)31(20-11-13-21(14-12-20)39-19-30(34)35)33-32(36)40-18-28-25-9-5-3-7-23(25)24-8-4-6-10-26(24)28/h3-17,28,31H,18-19H2,1-2H3,(H,33,36)(H,34,35)
InChIKey
UPMGJEMWPQOACJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(1-Fluorenyl-methoxycarbonyl)-(4-((2,4-dimethoxyphenyl)amino)phenoxy)acetic acid
CAS: 126828-35-1
CID: 2761459
Formula: C32H29NO7
MW: 539.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight539.6
XLogP35.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass539.19440226
Monoisotopic Mass539.19440226
Topological Polar Surface Area103 Ų
Heavy Atom Count40
Formal Charge0
Complexity808
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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