(βR)-β-Amino-3-chloro-4,5-dihydro-5-isoxazoleethanol (Mixture of Diastereomers) - CAS 1322622-94-5

Catalog:	BB074947
Product Name:	(βR)-β-Amino-3-chloro-4,5-dihydro-5-isoxazoleethanol (Mixture of Diastereomers)
CAS:	1322622-94-5
Synonyms:	(2R)-2-AMINO-2-(3-CHLORO-4,5-DIHYDRO-1,2-OXAZOL-5-YL)ETHANOL; (\|AR)-\|A-Amino-3-chloro-4,5-dihydro-5-isoxazoleethanol (Mixture of Diastereomers); (betaR)-beta-Amino-3-chloro-4,5-dihydro-5-isoxazoleethanol (Mixture of Diastereomers)

Technical Data

IUPAC Name:	(2R)-2-amino-2-(3-chloro-4,5-dihydro-1,2-oxazol-5-yl)ethanol
Molecular Weight:	164.59
Molecular Formula:	C5H9ClN2O2
Canonical SMILES:	C1C(ON=C1Cl)C(CO)N
InChI:	InChI=1S/C5H9ClN2O2/c6-5-1-4(10-8-5)3(7)2-9/h3-4,9H,1-2,7H2/t3-,4?/m1/s1
InChI Key:	SRXOACYTVOWKEX-SYPWQXSBSA-N
Solubility:	Chloroform, Dichloromethane, DMSO, Methanol
Appearance:	Pale-Yellow Oil

Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	164.0352552
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	164.0352552
Rotatable Bond Count:	2
Topological Polar Surface Area:	67.8Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.6