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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

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

Nitrogen 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
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[55877-31-1]
1-Benzofuran-3-carbonitrile
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline
[2006278-12-0]
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile

Pyrazoles

[1158353-54-8]
(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[62838-59-9]
1-Cyclopentyl-1H-pyrazole

Thiophenes

[13196-28-6]
2-Phenyl-1-(thiophen-2-yl)ethanone
[79485-96-4]
3-Bromo-2,4-dimethylthiophene
[113387-75-0]
Methyl 3-hydroxy-5-(1H-pyrazol-1-yl)thiophene-2-carboxylate
[851176-37-9]
2-Morpholino-2-(2-thienyl)ethylamine
[308831-93-8]
Ethyl 2-[(ethoxycarbonyl)amino]-4-methyl-5-(4-nitrophenyl)-3-thiophenecarboxylate
[438220-53-2]
Ethyl 2-amino-4-(3,4-dimethylphenyl)-5-methylthiophene-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