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Home > Nitro Compounds > 94009-16-2
94009-16-2 | 1-(2-methyl-5-nitrophenyl)-1H-pyrrole
CAS No: 94009-16-2 Catalog No: AG00IS1T MDL No:MFCD02665237
Product Description
Catalog Number:
AG00IS1T
Chemical Name:
1-(2-methyl-5-nitrophenyl)-1H-pyrrole
CAS Number:
94009-16-2
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
MDL Number:
MFCD02665237
IUPAC Name:
1-(2-methyl-5-nitrophenyl)pyrrole
InChI:
InChI=1S/C11H10N2O2/c1-9-4-5-10(13(14)15)8-11(9)12-6-2-3-7-12/h2-8H,1H3
InChI Key:
FJBOAUNBXJQBMZ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1n1cccc1)[N+](=O)[O-]
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.213g/mol
Monoisotopic Mass:
202.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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