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207606-55-1 | β-D-Xylopyranoside, 5-bromo-4-chloro-1H-indol-3-yl
CAS No: 207606-55-1 Catalog No: AG002J5U MDL No:MFCD00152013
Product Description
Catalog Number:
AG002J5U
Chemical Name:
β-D-Xylopyranoside, 5-bromo-4-chloro-1H-indol-3-yl
CAS Number:
207606-55-1
Molecular Formula:
C13H13BrClNO5
Molecular Weight:
378.6030
MDL Number:
MFCD00152013
IUPAC Name:
(2S,3R,4S,5R)-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]oxane-3,4,5-triol
InChI:
InChI=1S/C13H13BrClNO5/c14-5-1-2-6-9(10(5)15)8(3-16-6)21-13-12(19)11(18)7(17)4-20-13/h1-3,7,11-13,16-19H,4H2/t7-,11+,12-,13+/m1/s1
InChI Key:
LXVCKAHHHVVOJV-KQXJFYCDSA-N
SMILES:
O[C@H]1[C@H](Oc2c[nH]c3c2c(Cl)c(Br)cc3)OC[C@H]([C@@H]1O)O
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
376.967g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
378.603g/mol
Monoisotopic Mass:
376.967g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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