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Home > Thiazole > 1823939-94-1
1823939-94-1 | 2-(4-(THIAZOL-2-YL)PHENYL)ACETONITRILE
CAS No: 1823939-94-1 Catalog No: AG01BI25 MDL No:MFCD27998202
Product Description
Catalog Number:
AG01BI25
Chemical Name:
2-(4-(THIAZOL-2-YL)PHENYL)ACETONITRILE
CAS Number:
1823939-94-1
Molecular Formula:
C11H8N2S
Molecular Weight:
200.2596
MDL Number:
MFCD27998202
IUPAC Name:
2-[4-(1,3-thiazol-2-yl)phenyl]acetonitrile
InChI:
InChI=1S/C11H8N2S/c12-6-5-9-1-3-10(4-2-9)11-13-7-8-14-11/h1-4,7-8H,5H2
InChI Key:
WWDHIYASPWYZCM-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1)c1nccs1
Properties
Complexity:
225
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:
0
Isotope Atom Count:
0
Molecular Weight:
200.259g/mol
Monoisotopic Mass:
200.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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