Ethyl 2-Chloropyrimidine-4-carboxylate - CAS 1196152-00-7

Catalog:	BB004541
Product Name:	Ethyl 2-Chloropyrimidine-4-carboxylate
CAS:	1196152-00-7
Synonyms:	2-chloro-4-pyrimidinecarboxylic acid ethyl ester; ethyl 2-chloropyrimidine-4-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 2-chloropyrimidine-4-carboxylate
Description:	Ethyl 2-Chloropyrimidine-4-carboxylate (CAS# 1196152-00-7) is a useful research chemical.
Molecular Weight:	186.60
Molecular Formula:	C7H7ClN2O2
Canonical SMILES:	CCOC(=O)C1=NC(=NC=C1)Cl
InChI:	InChI=1S/C7H7ClN2O2/c1-2-12-6(11)5-3-4-9-7(8)10-5/h3-4H,2H2,1H3
InChI Key:	PWNAFFKEIJSHRD-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C
LogP:	1.30670

Publication Number	Title	Priority Date
CN-111212834-A	Pyridine, pyrazine and triazine compounds as allosteric SHP2 inhibitors	20171012
CA-3017395-A1	Retinoid compound, preparation method therefor, intermediates thereof and application thereof	20160311
EP-3428155-A1	Retinoid compound, preparation method therefor, intermediates thereof and application thereof	20160311
US-10556879-B2	Retinoid compound, preparation method therefor, intermediates thereof and application thereof	20160311
US-2019092744-A1	Retinoid compound, preparation method therefor, intermediates thereof and application thereof	20160311

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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
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

Complexity:	166
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.0196052
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	186.0196052
Rotatable Bond Count:	3
Topological Polar Surface Area:	52.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7