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Home > Nitro Compounds > 1186501-88-1
1186501-88-1 | {2-methyl-5-nitro-1H-pyrrolo[2,3-b]pyridin-1-yl}(phenyl)methanedione
CAS No: 1186501-88-1 Catalog No: AG01DXJD MDL No:
Product Description
Catalog Number:
AG01DXJD
Chemical Name:
{2-methyl-5-nitro-1H-pyrrolo[2,3-b]pyridin-1-yl}(phenyl)methanedione
CAS Number:
1186501-88-1
IUPAC Name:
1-(benzenesulfonyl)-2-methyl-5-nitropyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C14H11N3O4S/c1-10-7-11-8-12(17(18)19)9-15-14(11)16(10)22(20,21)13-5-3-2-4-6-13/h2-9H,1H3
InChI Key:
NLRMHZUUMBUMED-UHFFFAOYSA-N
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.047g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.319g/mol
Monoisotopic Mass:
317.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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