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5-(4-Chlorophenyl)-4-methylthiophene-2-carboxylic acid

5-(4-Chlorophenyl)-4-methylthiophene-2-carboxylic acid - CAS 832740-61-1

Catalog:	BB049784
Product Name:	5-(4-Chlorophenyl)-4-methylthiophene-2-carboxylic acid
CAS:	832740-61-1
Synonyms:	5-(4-chlorophenyl)-4-methylthiophene-2-carboxylicacid

Technical Data

Computed Properties

IUPAC Name:	5-(4-chlorophenyl)-4-methylthiophene-2-carboxylic acid
Description:	5-(4-Chlorophenyl)-4-methylthiophene-2-carboxylic acid (CAS# 832740-61-1 ) is a useful research chemical.
Molecular Weight:	252.72
Molecular Formula:	C12H9ClO2S
Canonical SMILES:	CC1=C(SC(=C1)C(=O)O)C2=CC=C(C=C2)Cl
InChI:	InChI=1S/C12H9ClO2S/c1-7-6-10(12(14)15)16-11(7)8-2-4-9(13)5-3-8/h2-6H,1H3,(H,14,15)
InChI Key:	QCPPOOWOUSJPRA-UHFFFAOYSA-N
Boiling Point:	401.9±45.0 °C at 760 mmHg
Density:	1.4±0.1 g/cm³

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Related Functional Groups

Carbonyl Compounds

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[17746-05-3]
Undecanoyl chloride
[55441-25-3]
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[956439-56-8]
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[70912-52-6]
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Halides

[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[111-85-3]
1-Chlorooctane
[1431970-24-9]
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride
[452-76-6]
2,4-Difluorotoluene
[856848-33-4]
2-Amino-4,5-dibromopyridine

Thiophenes

[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[79485-96-4]
3-Bromo-2,4-dimethylthiophene
[38401-73-9]
5-(3-Nitrophenyl)-2-thiophenecarbaldehyde
[74556-81-3]
5-[(3-Chlorophenoxy)methyl]thiophene-2-carboxylic acid
[63273-26-7]
5-(Bromomethyl)-2-thiophenecarboxylic Acid
[13669-10-8]
Ethyl (2-thenoyl)acetate

Complexity:	264
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	252.0011784
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	252.0011784
Rotatable Bond Count:	2
Topological Polar Surface Area:	65.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.1