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852621-07-9 | Phosphoric acid, monododecyl ester, compd. with 1H-benzimidazole(1:1)
CAS No: 852621-07-9 Catalog No: AG004PTB MDL No:
Product Description
Catalog Number:
AG004PTB
Chemical Name:
Phosphoric acid, monododecyl ester, compd. with 1H-benzimidazole(1:1)
CAS Number:
852621-07-9
Molecular Formula:
C19H33N2O4P
Molecular Weight:
384.4501
IUPAC Name:
1H-benzimidazole;dodecyl dihydrogen phosphate
InChI:
InChI=1S/C12H27O4P.C7H6N2/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;1-2-4-7-6(3-1)8-5-9-7/h2-12H2,1H3,(H2,13,14,15);1-5H,(H,8,9)
InChI Key:
QNERUKVRNUBVQW-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)nc[nH]2.CCCCCCCCCCCCOP(=O)(O)O
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.218g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
384.457g/mol
Monoisotopic Mass:
384.218g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
95.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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