5-(Chloromethyl)-3-isopropylisoxazole - CAS 64988-71-2

Catalog:	BB032611
Product Name:	5-(Chloromethyl)-3-isopropylisoxazole
CAS:	64988-71-2
Synonyms:	5-(chloromethyl)-3-propan-2-yl-1,2-oxazole

Technical Data

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Computed Properties

IUPAC Name:	5-(chloromethyl)-3-propan-2-yl-1,2-oxazole
Description:	5-(Chloromethyl)-3-isopropylisoxazole (CAS# 64988-71-2) is a useful research chemical.
Molecular Weight:	159.61
Molecular Formula:	C7H10ClNO
Canonical SMILES:	CC(C)C1=NOC(=C1)CCl
InChI:	InChI=1S/C7H10ClNO/c1-5(2)7-3-6(4-8)10-9-7/h3,5H,4H2,1-2H3
InChI Key:	DXCHZEISFLMPFZ-UHFFFAOYSA-N
Boiling Point:	230.3 °C at 760 mmHg
Density:	1.114 g/cm³
Appearance:	Solid
MDL:	MFCD09701716
LogP:	2.53680

Publication Number	Title	Priority Date
EP-3299371-A1	Hydroxyl purine compounds and use thereof	20150520
JP-2018515559-A	Hydroxypurine compounds and applications thereof	20150520
JP-6511692-B2	Hydroxypurine compound and its application	20150520
TW-201706268-A	Hydroxyl purine compound and application thereof	20150520
US-10278973-B2	Hydroxyl purine compounds and use thereof	20150520

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	108
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	159.0450916
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	159.0450916
Rotatable Bond Count:	2
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2