4-Chloro-5-methoxypyrimidine - CAS 695-85-2

Catalog:	BB033876
Product Name:	4-Chloro-5-methoxypyrimidine
CAS:	695-85-2
Synonyms:	4-chloro-5-methoxypyrimidine; 4-chloro-5-methoxypyrimidine

Technical Data

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Computed Properties

IUPAC Name:	4-chloro-5-methoxypyrimidine
Description:	4-Chloro-5-methoxypyrimidine (CAS# 695-85-2) is a useful research chemical.
Molecular Weight:	144.56
Molecular Formula:	C5H5ClN2O
Canonical SMILES:	COC1=CN=CN=C1Cl
InChI:	InChI=1S/C5H5ClN2O/c1-9-4-2-7-3-8-5(4)6/h2-3H,1H3
InChI Key:	CTMIYYREUVYVEL-UHFFFAOYSA-N
Boiling Point:	221.9 °C at 760 mmHg
Density:	1.292 g/cm³
MDL:	MFCD09966063
LogP:	1.13860

Publication Number	Title	Priority Date
WO-2020061150-A1	O-glycoprotein-2-acetamido-2-deoxy-3-d-glucopyranosidase inhibitors	20180919
TW-202031651-A	O-glycoprotein-2-acetamido-2-deoxy-3-d-glucopyranosidase inhibitors	20180919
CN-113166137-A	O-glycoprotein-2-acetamido-2-deoxy-3-D-glucopyranosidase inhibitors	20180919
EP-3853226-A1	O-glycoprotein-2-acetamido-2-deoxy-3-d-glucopyranosidase inhibitors	20180919
KR-20210060513-A	O-glycoprotein-2-acetamido-2-deoxy-3-D-glucopyranosidase inhibitor	20180919

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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, P304+P340, P305+P351+P338, P310, P312, P330, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	91
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	144.0090405
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	144.0090405
Rotatable Bond Count:	1
Topological Polar Surface Area:	35 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1