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500304-08-5 | 1,2-Ethanediol, 1,2-bis(1-methyl-1H-benzimidazol-2-yl)-, (1R,2R)-
CAS No: 500304-08-5 Catalog No: AG006WRW MDL No:
Product Description
Catalog Number:
AG006WRW
Chemical Name:
1,2-Ethanediol, 1,2-bis(1-methyl-1H-benzimidazol-2-yl)-, (1R,2R)-
CAS Number:
500304-08-5
Molecular Formula:
C18H18N4O2
Molecular Weight:
322.3611
IUPAC Name:
(1R,2R)-1,2-bis(1-methylbenzimidazol-2-yl)ethane-1,2-diol
InChI:
InChI=1S/C18H18N4O2/c1-21-13-9-5-3-7-11(13)19-17(21)15(23)16(24)18-20-12-8-4-6-10-14(12)22(18)2/h3-10,15-16,23-24H,1-2H3/t15-,16-/m0/s1
InChI Key:
PZJMZESHUAGMHL-HOTGVXAUSA-N
SMILES:
Cn1c2ccccc2nc1[C@H]([C@@H](c1nc2c(n1C)cccc2)O)O
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
322.143g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
322.368g/mol
Monoisotopic Mass:
322.143g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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