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Home > Nitro Compounds > 1269291-76-0
1269291-76-0 | Thiazole, 2-[1-(4-nitrophenyl)-1H-pyrazol-5-yl]-
CAS No: 1269291-76-0 Catalog No: AG000TJ1 MDL No:MFCD20275446
Product Description
Catalog Number:
AG000TJ1
Chemical Name:
Thiazole, 2-[1-(4-nitrophenyl)-1H-pyrazol-5-yl]-
CAS Number:
1269291-76-0
Molecular Formula:
C12H8N4O2S
Molecular Weight:
272.2825
MDL Number:
MFCD20275446
IUPAC Name:
2-[2-(4-nitrophenyl)pyrazol-3-yl]-1,3-thiazole
InChI:
InChI=1S/C12H8N4O2S/c17-16(18)10-3-1-9(2-4-10)15-11(5-6-14-15)12-13-7-8-19-12/h1-8H
InChI Key:
ZXHZCSMRRXCMJR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)n1nccc1c1nccs1
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.037g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.282g/mol
Monoisotopic Mass:
272.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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