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858118-13-5 | Methanone, (5-bromo-4-nitro-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl-
CAS No: 858118-13-5 Catalog No: AG004OG9 MDL No:
Product Description
Catalog Number:
AG004OG9
Chemical Name:
Methanone, (5-bromo-4-nitro-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl-
CAS Number:
858118-13-5
Molecular Formula:
C14H8BrN3O3
Molecular Weight:
346.1356
IUPAC Name:
(5-bromo-4-nitro-1H-pyrrolo[2,3-b]pyridin-3-yl)-phenylmethanone
InChI:
InChI=1S/C14H8BrN3O3/c15-10-7-17-14-11(12(10)18(20)21)9(6-16-14)13(19)8-4-2-1-3-5-8/h1-7H,(H,16,17)
InChI Key:
HCVKQULNLFVZMO-UHFFFAOYSA-N
SMILES:
O=C(c1c[nH]c2c1c([N+](=O)[O-])c(cn2)Br)c1ccccc1
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.975g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
346.14g/mol
Monoisotopic Mass:
344.975g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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