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83060-72-4 | 3-AMINO-2-CYANO-5-PHENYLTHIOPHENE
CAS No: 83060-72-4 Catalog No: AG005C84 MDL No:
Product Description
Catalog Number:
AG005C84
Chemical Name:
3-AMINO-2-CYANO-5-PHENYLTHIOPHENE
CAS Number:
83060-72-4
Molecular Formula:
C11H8N2S
Molecular Weight:
200.2596
IUPAC Name:
3-amino-5-phenylthiophene-2-carbonitrile
InChI:
InChI=1S/C11H8N2S/c12-7-11-9(13)6-10(14-11)8-4-2-1-3-5-8/h1-6H,13H2
InChI Key:
AYJOWWJCBULTIM-UHFFFAOYSA-N
SMILES:
N#Cc1sc(cc1N)c1ccccc1
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.041g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.259g/mol
Monoisotopic Mass:
200.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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