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74402-80-5 | Phenol, 2-(1,1-di-1H-imidazol-1-ylethyl)-
CAS No: 74402-80-5 Catalog No: AG005LNO MDL No:
Product Description
Catalog Number:
AG005LNO
Chemical Name:
Phenol, 2-(1,1-di-1H-imidazol-1-ylethyl)-
CAS Number:
74402-80-5
Molecular Formula:
C14H14N4O
Molecular Weight:
254.2872
IUPAC Name:
2-[1,1-di(imidazol-1-yl)ethyl]phenol
InChI:
InChI=1S/C14H14N4O/c1-14(17-8-6-15-10-17,18-9-7-16-11-18)12-4-2-3-5-13(12)19/h2-11,19H,1H3
InChI Key:
OQIKTPSJAHVTGM-UHFFFAOYSA-N
SMILES:
Oc1ccccc1C(n1cncc1)(n1cncc1)C
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.117g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.293g/mol
Monoisotopic Mass:
254.117g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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