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Home > Nitro Compounds > 72772-12-4
72772-12-4 | 1H-Pyrrole, 1-(2,5-dimethylphenyl)-2-methyl-5-(4-nitrophenyl)-
CAS No: 72772-12-4 Catalog No: AG005F14 MDL No:
Product Description
Catalog Number:
AG005F14
Chemical Name:
1H-Pyrrole, 1-(2,5-dimethylphenyl)-2-methyl-5-(4-nitrophenyl)-
CAS Number:
72772-12-4
Molecular Formula:
C19H18N2O2
Molecular Weight:
306.3584
IUPAC Name:
1-(2,5-dimethylphenyl)-2-methyl-5-(4-nitrophenyl)pyrrole
InChI:
InChI=1S/C19H18N2O2/c1-13-4-5-14(2)19(12-13)20-15(3)6-11-18(20)16-7-9-17(10-8-16)21(22)23/h4-12H,1-3H3
InChI Key:
TUPPJDVDAIXITM-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)n1c(C)ccc1c1ccc(cc1)[N+](=O)[O-])C
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.137g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.365g/mol
Monoisotopic Mass:
306.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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