Name: Name:Phenol, 4-(1H-pyrrol-1-yl)-
Brand: Angene
SKU: AG002MYN
Rating: 90 (10 reviews)

Phenol, 4-(1H-pyrrol-1-yl)-

CAS No.:

23351-09-9

Catalog Number:

AG002MYN

Molecular Formula:

C10H9NO

Molecular Weight:

159.1846

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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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

159.068g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

159.188g/mol

Monoisotopic Mass:

159.068g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

25.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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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