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Home > Nitro Compounds > 106981-64-0
106981-64-0 | Phenol, 5-nitro-2-(1H-pyrrol-1-yl)-
CAS No: 106981-64-0 Catalog No: AG00HAWC MDL No:MFCD03819501
Product Description
Catalog Number:
AG00HAWC
Chemical Name:
Phenol, 5-nitro-2-(1H-pyrrol-1-yl)-
CAS Number:
106981-64-0
Molecular Formula:
C10H8N2O3
Molecular Weight:
204.1821
MDL Number:
MFCD03819501
IUPAC Name:
5-nitro-2-pyrrol-1-ylphenol
InChI:
InChI=1S/C10H8N2O3/c13-10-7-8(12(14)15)3-4-9(10)11-5-1-2-6-11/h1-7,13H
InChI Key:
DZDJALIVRCUNIY-UHFFFAOYSA-N
SMILES:
Oc1cc(ccc1n1cccc1)[N+](=O)[O-]
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.185g/mol
Monoisotopic Mass:
204.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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