Home Imidazoles 10041-03-9
10041-03-9,MFCD19686220
Catalog No.:AA0001UT
10041-03-9 | Phenol, 3-(1H-imidazol-1-yl)-
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Technical Information
Catalog Number:
AA0001UT
Chemical Name:
Phenol, 3-(1H-imidazol-1-yl)-
CAS Number:
10041-03-9
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
MDL Number:
MFCD19686220
IUPAC Name:
3-imidazol-1-ylphenol
InChI:
InChI=1S/C9H8N2O/c12-9-3-1-2-8(6-9)11-5-4-10-7-11/h1-7,12H
InChI Key:
BECRMARRTSMUAO-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)n1cncc1
Properties
Computed Properties
 
Complexity:
152  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.064g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
160.176g/mol
Monoisotopic Mass:
160.064g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

Synonyms
 
3-(1H-imidazol-1-yl)phenol 
10041-03-9 
ZINC38916051 
AKOS013259649 
MCULE-6663820251 
NE24396 
EN300-75587 
Z1235963384 
3-imidazol-1-ylphenol 
ACN-032298 
CID10464591 
3-(1H-imidazol-1-yl)-phenol 
Phenol, 3-(1H-imidazol-1-yl)- 
3-(imidazol-1-yl)phenol 
3(1H-imidazol-1-yl)phenol 
SCHEMBL3071130 
3-(1H-Imidazole-1-yl)phenol 
3-(1H-imidazol-1-yl) phenol 
BECRMARRTSMUAO-UHFFFAOYSA-N 
Literature
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