Fast Red ITR Salt

CAT: 0024-sc-255169Size: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-255169Size:25 g

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CAS Number

27580-14-9

Chemical Information

5-(N,N-diethylaminosulphonyl)-2-methoxybenzenediazonium chloride

CAS Number	27580-14-9
PubChem CID	168711
IUPAC Name	5-(diethylsulfamoyl)-2-methoxybenzenediazonium
Molecular Formula	C11H16N3O3S+
Molecular Weight	270.33
XLogP	3
Topological Polar Surface Area	83.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	18
Formal Charge	1
Complexity	405

SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)[N+]#N

InChI

InChI=1S/C11H16N3O3S/c1-4-14(5-2)18(15,16)9-6-7-11(17-3)10(8-9)13-12/h6-8H,4-5H2,1-3H3/q+1

InChIKey

QPRGGJBGRUMFBU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 27580-14-9

CID: 168711

Formula: C11H16N3O3S+

MW: 270.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	270.33
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	270.09123755
Monoisotopic Mass	270.09123755
Topological Polar Surface Area	83.1 Å²
Heavy Atom Count	18
Formal Charge	1
Complexity	405
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-215022	Fast Red ITR
sc-215023	Fast red RC salt
sc-353606	Fast red B salt
sc-353606B	Fast red B salt
sc-473550	Fast red KL salt
sc-353606A	Fast red B salt
sc-362371	Nuclear Fast Red Ammonium salt
sc-215024A	Fast Red TR Salt 1,5-naphthalenedisulfonate salt
sc-215025A	Fast red TR salt hemi (zinc chloride) salt
sc-215024	Fast Red TR Salt 1,5-naphthalenedisulfonate salt