Home Other Building Blocks 3-NITRO-4-PHENYL-1H-PYRROLE

3-NITRO-4-PHENYL-1H-PYRROLE

CAS No.:
70647-26-6
Catalog Number:
AG01E0FX
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
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Product Description
Catalog Number:
AG01E0FX
Chemical Name:
3-NITRO-4-PHENYL-1H-PYRROLE
CAS Number:
70647-26-6
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD01568646
IUPAC Name:
3-nitro-4-phenyl-1H-pyrrole
InChI:
InChI=1S/C10H8N2O2/c13-12(14)10-7-11-6-9(10)8-4-2-1-3-5-8/h1-7,11H
InChI Key:
WERKCGAXQMDPFW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c[nH]cc1c1ccccc1
Properties
Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties