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90946-90-0

90946-90-0 | 2-Thiophenecarboxylicacid, 5-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitro-

CAS No: 90946-90-0 Catalog No: AG006GAB MDL No:

Product Description

Catalog Number:
AG006GAB
Chemical Name:
2-Thiophenecarboxylicacid, 5-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitro-
CAS Number:
90946-90-0
Molecular Formula:
C10H9N3O4S
Molecular Weight:
267.2612
IUPAC Name:
5-(3,5-dimethylpyrazol-1-yl)-4-nitrothiophene-2-carboxylic acid
InChI:
InChI=1S/C10H9N3O4S/c1-5-3-6(2)12(11-5)9-7(13(16)17)4-8(18-9)10(14)15/h3-4H,1-2H3,(H,14,15)
InChI Key:
FKJVDZIOVCSSQW-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1)C)c1sc(cc1[N+](=O)[O-])C(=O)O

Properties

Complexity:
362  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.031g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
267.259g/mol
Monoisotopic Mass:
267.031g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

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