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Home > Nitro Compounds > 69625-13-4
69625-13-4 | 2-Thiazoleacetonitrile,4-(4-nitrophenyl)-
CAS No: 69625-13-4 Catalog No: AG005JYI MDL No:MFCD00724226
Product Description
Catalog Number:
AG005JYI
Chemical Name:
2-Thiazoleacetonitrile,4-(4-nitrophenyl)-
CAS Number:
69625-13-4
Molecular Formula:
C11H7N3O2S
Molecular Weight:
245.2572
MDL Number:
MFCD00724226
IUPAC Name:
2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetonitrile
InChI:
InChI=1S/C11H7N3O2S/c12-6-5-11-13-10(7-17-11)8-1-3-9(4-2-8)14(15)16/h1-4,7H,5H2
InChI Key:
URTLLRGORUKPOJ-UHFFFAOYSA-N
SMILES:
N#CCc1scc(n1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.026g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.256g/mol
Monoisotopic Mass:
245.026g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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