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23351-09-9 | Phenol, 4-(1H-pyrrol-1-yl)-
CAS No: 23351-09-9 Catalog No: AG002MYN MDL No:MFCD00216556
Product Description
Catalog Number:
AG002MYN
Chemical Name:
Phenol, 4-(1H-pyrrol-1-yl)-
CAS Number:
23351-09-9
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
MDL Number:
MFCD00216556
IUPAC Name:
4-pyrrol-1-ylphenol
InChI:
InChI=1S/C10H9NO/c12-10-5-3-9(4-6-10)11-7-1-2-8-11/h1-8,12H
InChI Key:
SSRBBYUGRMSIBT-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)n1cccc1
EC Number:
245-600-5
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.188g/mol
Monoisotopic Mass:
159.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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