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Irbesartan Impurity 19

CAT: 1299-RM-I192019-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-I192019-01Size:10 mg
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CAS Number
133690-91-2
Synonyms
4'- (azidomethyl) -[1,1'-biphenyl]-2-carbonitrile
Molecular Formula
C14H10N4
Molecular Weight
234.26
Target Alternative Name
Irbesartan
Product Name Synonym
4'- (azidomethyl) -[1,1'-biphenyl]-2-carbonitrile

Chemical Information

4-Azidomethyl-2'-cyanobiphenyl
CAS Number133690-91-2
PubChem CID10353989
IUPAC Name2-[4-(azidomethyl)phenyl]benzonitrile
Molecular FormulaC14H10N4
Molecular Weight234.26
XLogP4.1
Topological Polar Surface Area38.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity355
SMILES
C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CN=[N+]=[N-]
InChI
InChI=1S/C14H10N4/c15-9-13-3-1-2-4-14(13)12-7-5-11(6-8-12)10-17-18-16/h1-8H,10H2
InChIKey
LANSUNWWSUCCJT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Azidomethyl-2'-cyanobiphenyl
CAS: 133690-91-2
CID: 10353989
Formula: C14H10N4
MW: 234.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight234.26
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass234.090546336
Monoisotopic Mass234.090546336
Topological Polar Surface Area38.2 Ų
Heavy Atom Count18
Formal Charge0
Complexity355
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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