2-Chloro-4-nitrophenyl-D-glucopyranoside

Catalog	BBC119047142
CAS	119047-14-2
Structure
Synonyms	α-D-Glucopyranoside, 2-chloro-4-nitrophenyl
IUPAC Name	(2R,3R,4S,5S,6R)-2-(2-chloro-4-nitrophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	335.69
Molecular Formula	C12H14ClNO8
Canonical SMILES	C1=CC(=C(C=C1[N+](=O)[O-])Cl)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI	InChI=1S/C12H14ClNO8/c13-6-3-5(14(19)20)1-2-7(6)21-12-11(18)10(17)9(16)8(4-15)22-12/h1-3,8-12,15-18H,4H2/t8-,9-,10+,11-,12+/m1/s1
InChI Key	PJCVBKZRKNFZOD-ZIQFBCGOSA-N
Boiling Point	591.2±50.0 °C
Melting Point	127-130 °C
Flash Point	311.32ºC
Purity	98%
Density	1.675±0.06 g/ml
Appearance	Off-white solid
pKa	12.57±0.70