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31557-89-8 | Acetamide, 2-cyano-N-(4-phenyl-2-thiazolyl)-
CAS No: 31557-89-8 Catalog No: AG00I5Z1 MDL No:MFCD02251253
Product Description
Catalog Number:
AG00I5Z1
Chemical Name:
Acetamide, 2-cyano-N-(4-phenyl-2-thiazolyl)-
CAS Number:
31557-89-8
Molecular Formula:
C12H9N3OS
Molecular Weight:
243.2844
MDL Number:
MFCD02251253
IUPAC Name:
2-cyano-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
InChI:
InChI=1S/C12H9N3OS/c13-7-6-11(16)15-12-14-10(8-17-12)9-4-2-1-3-5-9/h1-5,8H,6H2,(H,14,15,16)
InChI Key:
UBFLHMNQIQMLKX-UHFFFAOYSA-N
SMILES:
N#CCC(=O)Nc1scc(n1)c1ccccc1
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.047g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.284g/mol
Monoisotopic Mass:
243.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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