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Eltrombopag Impurity

CAT: 1596-AR-E11044-06Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-E11044-06Size:250 Units
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CAS Number
688363-79-3
Synonyms
1-bromo-3-nitro-2-phenylmethoxybenzene; 2- (Benzyloxy) -1-bromo-3-nitrobenzene
Molecular Formula
C13H10BrNO3
Molecular Weight
308.13
API Name
Eltrombopag

Chemical Information

2-(Benzyloxy)-1-bromo-3-nitrobenzene
CAS Number688363-79-3
PubChem CID21873514
IUPAC Name1-bromo-3-nitro-2-phenylmethoxybenzene
Molecular FormulaC13H10BrNO3
Molecular Weight308.13
XLogP3.9
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity276
SMILES
C1=CC=C(C=C1)COC2=C(C=CC=C2Br)[N+](=O)[O-]
InChI
InChI=1S/C13H10BrNO3/c14-11-7-4-8-12(15(16)17)13(11)18-9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKey
IJAMXMAVDDCHHD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Benzyloxy)-1-bromo-3-nitrobenzene
CAS: 688363-79-3
CID: 21873514
Formula: C13H10BrNO3
MW: 308.13
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight308.13
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass306.98441
Monoisotopic Mass306.98441
Topological Polar Surface Area55.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity276
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