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139975-78-3 | 1H-Imidazole-1-propanenitrile, 5-bromo-2-methyl-4-nitro-
CAS No: 139975-78-3 Catalog No: AG001BVY MDL No:MFCD00173665
Product Description
Catalog Number:
AG001BVY
Chemical Name:
1H-Imidazole-1-propanenitrile, 5-bromo-2-methyl-4-nitro-
CAS Number:
139975-78-3
Molecular Formula:
C7H7BrN4O2
Molecular Weight:
259.0601
MDL Number:
MFCD00173665
IUPAC Name:
3-(5-bromo-2-methyl-4-nitroimidazol-1-yl)propanenitrile
InChI:
InChI=1S/C7H7BrN4O2/c1-5-10-7(12(13)14)6(8)11(5)4-2-3-9/h2,4H2,1H3
InChI Key:
DFDZIMWEKUXHMN-UHFFFAOYSA-N
SMILES:
N#CCCn1c(C)nc(c1Br)[N+](=O)[O-]
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.975g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.063g/mol
Monoisotopic Mass:
257.975g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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