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Home > Nitro Compounds > 852928-18-8
852928-18-8 | 1H-Pyrrole, 2,2'-[(4-nitrophenyl)methylene]bis[1-methyl-
CAS No: 852928-18-8 Catalog No: AG004PLG MDL No:
Product Description
Catalog Number:
AG004PLG
Chemical Name:
1H-Pyrrole, 2,2'-[(4-nitrophenyl)methylene]bis[1-methyl-
CAS Number:
852928-18-8
Molecular Formula:
C17H17N3O2
Molecular Weight:
295.3358
IUPAC Name:
1-methyl-2-[(1-methylpyrrol-2-yl)-(4-nitrophenyl)methyl]pyrrole
InChI:
InChI=1S/C17H17N3O2/c1-18-11-3-5-15(18)17(16-6-4-12-19(16)2)13-7-9-14(10-8-13)20(21)22/h3-12,17H,1-2H3
InChI Key:
VNMRQTGWHUUHDA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C(c1cccn1C)c1cccn1C
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.132g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.342g/mol
Monoisotopic Mass:
295.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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