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Home > Nitro Compounds > 88796-47-8
88796-47-8 | Pyrrolo[1,2-a]pyrimidine-8-carbonitrile, 6-methyl-3-nitro-7-phenyl-
CAS No: 88796-47-8 Catalog No: AG004CTK MDL No:
Product Description
Catalog Number:
AG004CTK
Chemical Name:
Pyrrolo[1,2-a]pyrimidine-8-carbonitrile, 6-methyl-3-nitro-7-phenyl-
CAS Number:
88796-47-8
Molecular Formula:
C15H10N4O2
Molecular Weight:
278.2655
IUPAC Name:
6-methyl-3-nitro-7-phenylpyrrolo[1,2-a]pyrimidine-8-carbonitrile
InChI:
InChI=1S/C15H10N4O2/c1-10-14(11-5-3-2-4-6-11)13(7-16)15-17-8-12(19(20)21)9-18(10)15/h2-6,8-9H,1H3
InChI Key:
MGBYSFIDZGURTQ-UHFFFAOYSA-N
SMILES:
N#Cc1c2ncc(cn2c(c1c1ccccc1)C)[N+](=O)[O-]
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.08g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.271g/mol
Monoisotopic Mass:
278.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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