Methyl 4,5-Dichloroindole-2-carboxylate - CAS 952958-53-1

Name: Methyl 4,5-Dichloroindole-2-carboxylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB041670
Product Name:	Methyl 4,5-Dichloroindole-2-carboxylate
CAS:	952958-53-1
Synonyms:	4,5-dichloro-1H-indole-2-carboxylic acid methyl ester; methyl 4,5-dichloro-1H-indole-2-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	methyl 4,5-dichloro-1H-indole-2-carboxylate
Description:	Methyl 4,5-Dichloroindole-2-carboxylate (CAS# 952958-53-1) is a useful research chemical.
Molecular Weight:	244.07
Molecular Formula:	C10H7Cl2NO2
Canonical SMILES:	COC(=O)C1=CC2=C(N1)C=CC(=C2Cl)Cl
InChI:	InChI=1S/C10H7Cl2NO2/c1-15-10(14)8-4-5-7(13-8)3-2-6(11)9(5)12/h2-4,13H,1H3
InChI Key:	FCGXUKBYUAWSIF-UHFFFAOYSA-N

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[2168559-63-3]C8H10ClNO2
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
EP-3426243-A1	3-phosphoglycerate dehydrogenase inhibitors and uses thereof	20160309
EP-3426244-A1	3-phosphoglycerate dehydrogenase inhibitors and uses thereof	20160309
US-2019071400-A1	3-phosphoglycerate dehydrogenase inhibitors and uses thereof	20160309
US-2019071431-A1	3-phosphoglycerate dehydrogenase inhibitors and uses thereof	20160309
WO-2017156165-A1	3-phosphoglycerate dehydrogenase inhibitors and uses thereof	20160309

Complexity:	262
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	242.9853839
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	242.9853839
Rotatable Bond Count:	2
Topological Polar Surface Area:	42.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5