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77234-87-8 | 1H-Imidazole-1-ethanol,a-[1,1'-biphenyl]-4-yl-b,b-dimethyl-, hydrochloride (1:1)
CAS No: 77234-87-8 Catalog No: AG00553R MDL No:
Product Description
Catalog Number:
AG00553R
Chemical Name:
1H-Imidazole-1-ethanol,a-[1,1'-biphenyl]-4-yl-b,b-dimethyl-, hydrochloride (1:1)
CAS Number:
77234-87-8
Molecular Formula:
C19H21ClN2O
Molecular Weight:
328.8358
IUPAC Name:
2-(1H-imidazol-1-ium-1-yl)-2-methyl-1-(4-phenylphenyl)propan-1-ol;chloride
InChI:
InChI=1S/C19H20N2O.ClH/c1-19(2,21-13-12-20-14-21)18(22)17-10-8-16(9-11-17)15-6-4-3-5-7-15;/h3-14,18,22H,1-2H3;1H
InChI Key:
ITTGGRHAFNXGHZ-UHFFFAOYSA-N
SMILES:
OC(C(n1cncc1)(C)C)c1ccc(cc1)c1ccccc1.Cl
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.134g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
328.84g/mol
Monoisotopic Mass:
328.134g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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