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Home > Bromides > 1313408-93-3
1313408-93-3 | 1H-Indazole, 3-bromo-1-[(6-methyl-2-pyridinyl)methyl]-4-nitro-
CAS No: 1313408-93-3 Catalog No: AG000VYW MDL No:
Product Description
Catalog Number:
AG000VYW
Chemical Name:
1H-Indazole, 3-bromo-1-[(6-methyl-2-pyridinyl)methyl]-4-nitro-
CAS Number:
1313408-93-3
Molecular Formula:
C14H11BrN4O2
Molecular Weight:
347.1667
IUPAC Name:
3-bromo-1-[(6-methylpyridin-2-yl)methyl]-4-nitroindazole
InChI:
InChI=1S/C14H11BrN4O2/c1-9-4-2-5-10(16-9)8-18-11-6-3-7-12(19(20)21)13(11)14(15)17-18/h2-7H,8H2,1H3
InChI Key:
JGHRXGDLVFTFAA-UHFFFAOYSA-N
SMILES:
Cc1cccc(n1)Cn1nc(c2c1cccc2[N+](=O)[O-])Br
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.007g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.172g/mol
Monoisotopic Mass:
346.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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