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RO 15-3890 25mg

CAT: 0628-A14349-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A14349-25Size:25 mg
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CAS Number
84378-44-9

Chemical Information

Ro 15-3890

structure given in first source

CAS Number84378-44-9
PubChem CID134757
IUPAC Name8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid
Molecular FormulaC13H10FN3O3
Molecular Weight275.23
XLogP0.3
Topological Polar Surface Area75.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity433
SMILES
CN1CC2=C(N=CN2C3=C(C1=O)C=C(C=C3)F)C(=O)O
InChI
InChI=1S/C13H10FN3O3/c1-16-5-10-11(13(19)20)15-6-17(10)9-3-2-7(14)4-8(9)12(16)18/h2-4,6H,5H2,1H3,(H,19,20)
InChIKey
SFVXVWJBSJCRJO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ro 15-3890
CAS: 84378-44-9
CID: 134757
Formula: C13H10FN3O3
MW: 275.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight275.23
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass275.07061935
Monoisotopic Mass275.07061935
Topological Polar Surface Area75.4 Ų
Heavy Atom Count20
Formal Charge0
Complexity433
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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