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83749-49-9 | 3-Thiophenecarbonitrile, 2-amino-5-(phenylazo)-
CAS No: 83749-49-9 Catalog No: AG004SQU MDL No:
Product Description
Catalog Number:
AG004SQU
Chemical Name:
3-Thiophenecarbonitrile, 2-amino-5-(phenylazo)-
CAS Number:
83749-49-9
Molecular Formula:
C11H8N4S
Molecular Weight:
228.2730
IUPAC Name:
2-amino-5-phenyldiazenylthiophene-3-carbonitrile
InChI:
InChI=1S/C11H8N4S/c12-7-8-6-10(16-11(8)13)15-14-9-4-2-1-3-5-9/h1-6H,13H2
InChI Key:
UYVCQCSAFDRBKF-UHFFFAOYSA-N
SMILES:
N#Cc1cc(sc1N)N=Nc1ccccc1
EC Number:
617-490-2
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.047g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.273g/mol
Monoisotopic Mass:
228.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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