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85362-86-3 | (+)-1,4-Bis-O-(4-chlorobenzyl)-D-threitol
CAS No: 85362-86-3 Catalog No: AG004L70 MDL No:
Product Description
Catalog Number:
AG004L70
Chemical Name:
(+)-1,4-Bis-O-(4-chlorobenzyl)-D-threitol
CAS Number:
85362-86-3
Molecular Formula:
C18H20Cl2O4
Molecular Weight:
371.2550
IUPAC Name:
(2R,3R)-1,4-bis[(4-chlorophenyl)methoxy]butane-2,3-diol
InChI:
InChI=1S/C18H20Cl2O4/c19-15-5-1-13(2-6-15)9-23-11-17(21)18(22)12-24-10-14-3-7-16(20)8-4-14/h1-8,17-18,21-22H,9-12H2/t17-,18-/m1/s1
InChI Key:
MBGYQXOSGYFFSY-QZTJIDSGSA-N
SMILES:
O[C@@H]([C@@H](COCc1ccc(cc1)Cl)O)COCc1ccc(cc1)Cl
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
370.074g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
371.254g/mol
Monoisotopic Mass:
370.074g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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