Methyl 2-Bromo-2-cyclohexylacetate - CAS 58851-63-1

Catalog:	BB030179
Product Name:	Methyl 2-Bromo-2-cyclohexylacetate
CAS:	58851-63-1
Synonyms:	2-bromo-2-cyclohexylacetic acid methyl ester; methyl 2-bromo-2-cyclohexylacetate

Technical Data

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Computed Properties

IUPAC Name:	methyl 2-bromo-2-cyclohexylacetate
Description:	Methyl 2-Bromo-2-cyclohexylacetate (CAS# 58851-63-1 ) is a useful research chemical.
Molecular Weight:	235.12
Molecular Formula:	C9H15BrO2
Canonical SMILES:	COC(=O)C(C1CCCCC1)Br
InChI:	InChI=1S/C9H15BrO2/c1-12-9(11)8(10)7-5-3-2-4-6-7/h7-8H,2-6H2,1H3
InChI Key:	FVRCRECNPNQSKL-UHFFFAOYSA-N
Boiling Point:	254.2 °C at 760 mmHg
Density:	1.341 g/cm³
MDL:	MFCD00085712
LogP:	2.50320

Publication Number	Title	Priority Date
CN-107286180-B	Miscellaneous generation Pyridopyrimidinone derivatives are as CDK inhibitor and its application	20160411
EP-3444254-A1	Heterocyclic-substituted pyridinopyrimidinone derivative as cdk inhibitor and use thereof	20160411
EP-3444254-B1	Heterocyclic-substituted pyridinopyrimidinone derivative as cdk inhibitor and use thereof	20160411
JP-2019510822-A	Heterocyclic substituted pyridinopyrimidinone derivatives as CDK inhibitors and uses thereof	20160411
JP-6661049-B2	Heterocyclic-substituted pyridinopyrimidinone derivatives as CDK inhibitors, pharmaceutically acceptable salts thereof, and pharmaceutical compositions	20160411

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	153
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	234.02554
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	234.02554
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3