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Home > Nitro Compounds > 81729-45-5
81729-45-5 | 1H-Pyrrole, 1-[(2-nitrophenyl)methyl]-
CAS No: 81729-45-5 Catalog No: AG005ITX MDL No:MFCD16159042
Product Description
Catalog Number:
AG005ITX
Chemical Name:
1H-Pyrrole, 1-[(2-nitrophenyl)methyl]-
CAS Number:
81729-45-5
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
MDL Number:
MFCD16159042
IUPAC Name:
1-[(2-nitrophenyl)methyl]pyrrole
InChI:
InChI=1S/C11H10N2O2/c14-13(15)11-6-2-1-5-10(11)9-12-7-3-4-8-12/h1-8H,9H2
InChI Key:
UPIYVJIZPXBIAS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1Cn1cccc1
Properties
Complexity:
221
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:
2
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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