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Home > Nitro Compounds > 956741-77-8
956741-77-8 | 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(3-nitrophenyl)-1,3-thiazole
CAS No: 956741-77-8 Catalog No: AG00INQZ MDL No:MFCD02661607
Product Description
Catalog Number:
AG00INQZ
Chemical Name:
2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(3-nitrophenyl)-1,3-thiazole
CAS Number:
956741-77-8
Molecular Formula:
C14H12N4O2S
Molecular Weight:
300.3357
MDL Number:
MFCD02661607
IUPAC Name:
2-(3,5-dimethylpyrazol-1-yl)-4-(3-nitrophenyl)-1,3-thiazole
InChI:
InChI=1S/C14H12N4O2S/c1-9-6-10(2)17(16-9)14-15-13(8-21-14)11-4-3-5-12(7-11)18(19)20/h3-8H,1-2H3
InChI Key:
QLCFBZDNMRLUIJ-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1)C)c1scc(n1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.068g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.336g/mol
Monoisotopic Mass:
300.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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