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77234-88-9 | 1H-Imidazole-1-propanol,a-[1,1'-biphenyl]-4-yl-,hydrochloride (1:1)
CAS No: 77234-88-9 Catalog No: AG008NJP MDL No:
Product Description
Catalog Number:
AG008NJP
Chemical Name:
1H-Imidazole-1-propanol,a-[1,1'-biphenyl]-4-yl-,hydrochloride (1:1)
CAS Number:
77234-88-9
Molecular Formula:
C18H19ClN2O
Molecular Weight:
314.8093
IUPAC Name:
3-imidazol-1-yl-1-(4-phenylphenyl)propan-1-ol;hydrochloride
InChI:
InChI=1S/C18H18N2O.ClH/c21-18(10-12-20-13-11-19-14-20)17-8-6-16(7-9-17)15-4-2-1-3-5-15;/h1-9,11,13-14,18,21H,10,12H2;1H
InChI Key:
UMUKKPJSUYFHNO-UHFFFAOYSA-N
SMILES:
OC(c1ccc(cc1)c1ccccc1)CCn1cncc1.Cl
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.119g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
314.813g/mol
Monoisotopic Mass:
314.119g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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