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5-[(3-Nitro-1H-pyrazol-1-yl)methyl]thiophene-2-carboxylic acid

5-[(3-Nitro-1H-pyrazol-1-yl)methyl]thiophene-2-carboxylic acid - CAS 1006457-74-4

Catalog:	BB049218
Product Name:	5-[(3-Nitro-1H-pyrazol-1-yl)methyl]thiophene-2-carboxylic acid
CAS:	1006457-74-4
Synonyms:	5-[(3-nitropyrazolyl)methyl]thiophene-2-carboxylic acid

Technical Data

Computed Properties

IUPAC Name:	5-[(3-nitropyrazol-1-yl)methyl]thiophene-2-carboxylic acid
Description:	5-[(3-Nitro-1H-pyrazol-1-yl)methyl]thiophene-2-carboxylic acid (CAS# 1006457-74-4 ) is a useful research chemical.
Molecular Weight:	253.24
Molecular Formula:	C9H7N3O4S
Canonical SMILES:	C1=CN(N=C1[N+](=O)[O-])CC2=CC=C(S2)C(=O)O
InChI:	InChI=1S/C9H7N3O4S/c13-9(14)7-2-1-6(17-7)5-11-4-3-8(10-11)12(15)16/h1-4H,5H2,(H,13,14)
InChI Key:	YMBYQKLENUMWGB-UHFFFAOYSA-N
Boiling Point:	530.2±50.0 °C (Predicted)
Density:	1.68±0.1 g/cm³(Predicted)

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[87-88-7]
Chloranilic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid

Nitrogen Compounds

[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene

Pyrazoles

[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1250876-38-0]
1-Cyclopentyl-1H-pyrazole-3,5-diamine
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole

Thiophenes

[13196-28-6]
2-Phenyl-1-(thiophen-2-yl)ethanone
[934080-82-7]
5-[(3,4-Dimethylphenoxy)methyl]thiophene-2-carboxylic acid
[1263280-02-9]
Ethyl 4-fluorobenzo[b]thiophene-2-carboxylate
[113387-75-0]
Methyl 3-hydroxy-5-(1H-pyrazol-1-yl)thiophene-2-carboxylate
[350990-31-7]
Ethyl 2-amino-4-(2,5-dimethylphenyl)-5-methylthiophene-3-carboxylate
[325724-66-1]
Ethyl 2-amino-4-(2-chlorophenyl)thiophene-3-carboxylate

Complexity:	322
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	253.01572689
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	253.01572689
Rotatable Bond Count:	3
Topological Polar Surface Area:	129
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6