2-Chloro-4-nitrophenyl-D-glucopyranoside

• CAS: 119047-14-2
• Catalog Number: ACM119047142
• Category: Other Products
• Molecular Weight: 335.69
• Molecular Formula: C12H14ClNO8
• 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
• 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
• Density: 1.675±0.06 g/ml
• Appearance: Off-white solid
• Exact Mass: 335.04100
• H-Bond Acceptor: 8
• H-Bond Donor: 4
• pKa: 12.57±0.70