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70541-99-0 | 2-Thiophenecarboxamide,5-cyano-4-methyl-3-phenyl-
CAS No: 70541-99-0 Catalog No: AG005I4J MDL No:MFCD03425789
Product Description
Catalog Number:
AG005I4J
Chemical Name:
2-Thiophenecarboxamide,5-cyano-4-methyl-3-phenyl-
CAS Number:
70541-99-0
Molecular Formula:
C13H10N2OS
Molecular Weight:
242.2963
MDL Number:
MFCD03425789
IUPAC Name:
5-cyano-4-methyl-3-phenylthiophene-2-carboxamide
InChI:
InChI=1S/C13H10N2OS/c1-8-10(7-14)17-12(13(15)16)11(8)9-5-3-2-4-6-9/h2-6H,1H3,(H2,15,16)
InChI Key:
ZTZHNCQVFOLOEO-UHFFFAOYSA-N
SMILES:
N#Cc1sc(c(c1C)c1ccccc1)C(=O)N
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.051g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.296g/mol
Monoisotopic Mass:
242.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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