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MDM2 Inhibitor 100mg

CAT: 0628-A13582-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A13582-100Size:100 mg
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CAS Number
562823-84-1

Chemical Information

MDM2 Inhibitor

[4-[3-(4-iodophenyl)prop-2-enoyl]phenyl]boronic acid is a member of chalcones.

CAS Number562823-84-1
PubChem CID10022508
IUPAC Name[4-[(E)-3-(4-iodophenyl)prop-2-enoyl]phenyl]boronic acid
Molecular FormulaC15H12BIO3
Molecular Weight377.97
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity343
SMILES
B(C1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)I)(O)O
InChI
InChI=1S/C15H12BIO3/c17-14-8-1-11(2-9-14)3-10-15(18)12-4-6-13(7-5-12)16(19)20/h1-10,19-20H/b10-3+
InChIKey
BYMGWCQXSPGCMW-XCVCLJGOSA-N
Chemical Structure
2D Structure
2D structure of MDM2 Inhibitor
CAS: 562823-84-1
CID: 10022508
Formula: C15H12BIO3
MW: 377.97
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight377.97
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass377.99242
Monoisotopic Mass377.99242
Topological Polar Surface Area57.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity343
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes