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NB-64

CAT: 0931-T28133-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T28133-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
53242-68-5
Target
Others
Related Pathways
Others
Bioactivity
NB-64 is a HIV-1 entry inhibitor. NB-64 interferes the gp41 six-helix bundle formation and blocks virus fusion.
Smiles
OC(=O)C1=CC(=CC=C1Cl)N1C=CC=C1
Molecular Formula
C11H8ClNO2
Molecular Weight
221.64
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-chloro-5-(1H-pyrrol-1-yl)benzoic acid
CAS Number53242-68-5
PubChem CID771122
IUPAC Name2-chloro-5-pyrrol-1-ylbenzoic acid
Molecular FormulaC11H8ClNO2
Molecular Weight221.64
XLogP2.6
Topological Polar Surface Area42.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity241
SMILES
C1=CN(C=C1)C2=CC(=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C11H8ClNO2/c12-10-4-3-8(7-9(10)11(14)15)13-5-1-2-6-13/h1-7H,(H,14,15)
InChIKey
HPAOLHCBQKYITR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-chloro-5-(1H-pyrrol-1-yl)benzoic acid
CAS: 53242-68-5
CID: 771122
Formula: C11H8ClNO2
MW: 221.64
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight221.64
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass221.0243562
Monoisotopic Mass221.0243562
Topological Polar Surface Area42.2 Ų
Heavy Atom Count15
Formal Charge0
Complexity241
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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