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Home > Bromides > 1799420-96-4
1799420-96-4 | 1H-Imidazole-4-carbonitrile, 2,5-dibromo-1-methyl-
CAS No: 1799420-96-4 Catalog No: AG0021HX MDL No:MFCD28805512
Product Description
Catalog Number:
AG0021HX
Chemical Name:
1H-Imidazole-4-carbonitrile, 2,5-dibromo-1-methyl-
CAS Number:
1799420-96-4
Molecular Formula:
C5H3Br2N3
Molecular Weight:
264.9054
MDL Number:
MFCD28805512
IUPAC Name:
2,5-dibromo-1-methylimidazole-4-carbonitrile
InChI:
InChI=1S/C5H3Br2N3/c1-10-4(6)3(2-8)9-5(10)7/h1H3
InChI Key:
TXVLYMDQEFLDTN-UHFFFAOYSA-N
SMILES:
N#Cc1nc(n(c1Br)C)Br
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.867g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.908g/mol
Monoisotopic Mass:
262.869g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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