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HO-1-IN-1 5mg

CAT: 0628-A19975-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A19975-5Size:5 mg
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CAS Number
1093058-52-6

Chemical Information

Heme Oxygenase-1-IN-1
CAS Number1093058-52-6
PubChem CID57775660
IUPAC Name1-[4-(4-bromophenyl)butyl]imidazole
Molecular FormulaC13H15BrN2
Molecular Weight279.18
XLogP3.3
Topological Polar Surface Area17.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count16
Formal Charge0
Complexity190
SMILES
C1=CC(=CC=C1CCCCN2C=CN=C2)Br
InChI
InChI=1S/C13H15BrN2/c14-13-6-4-12(5-7-13)3-1-2-9-16-10-8-15-11-16/h4-8,10-11H,1-3,9H2
InChIKey
FZNINMHMRBYDPR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Heme Oxygenase-1-IN-1
CAS: 1093058-52-6
CID: 57775660
Formula: C13H15BrN2
MW: 279.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight279.18
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass278.04186
Monoisotopic Mass278.04186
Topological Polar Surface Area17.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity190
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