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Home > Imidazoles > 878770-54-8
878770-54-8 | 4-(1H-BENZO[D]IMIDAZOL-2-YL)PHENOL HYDROCHLORIDE
CAS No: 878770-54-8 Catalog No: AG01AS09 MDL No:MFCD16556213
Product Description
Catalog Number:
AG01AS09
Chemical Name:
4-(1H-BENZO[D]IMIDAZOL-2-YL)PHENOL HYDROCHLORIDE
CAS Number:
878770-54-8
Molecular Formula:
C13H11ClN2O
Molecular Weight:
246.6922
MDL Number:
MFCD16556213
IUPAC Name:
4-(1H-benzimidazol-2-yl)phenol;hydrochloride
InChI:
InChI=1S/C13H10N2O.ClH/c16-10-7-5-9(6-8-10)13-14-11-3-1-2-4-12(11)15-13;/h1-8,16H,(H,14,15);1H
InChI Key:
UCLLECODCWOJTA-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1nc2c([nH]1)cccc2.Cl
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.056g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
246.694g/mol
Monoisotopic Mass:
246.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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