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Home > Bromides > 1669415-69-3
1669415-69-3 | 1H-Imidazole-4-carbonitrile, 5-bromo-1-methyl-
CAS No: 1669415-69-3 Catalog No: AG001X0X MDL No:MFCD22581519
Product Description
Catalog Number:
AG001X0X
Chemical Name:
1H-Imidazole-4-carbonitrile, 5-bromo-1-methyl-
CAS Number:
1669415-69-3
Molecular Formula:
C5H4BrN3
Molecular Weight:
186.0094
MDL Number:
MFCD22581519
IUPAC Name:
5-bromo-1-methylimidazole-4-carbonitrile
InChI:
InChI=1S/C5H4BrN3/c1-9-3-8-4(2-7)5(9)6/h3H,1H3
InChI Key:
HROWRHSFQVRYEF-UHFFFAOYSA-N
SMILES:
N#Cc1ncn(c1Br)C
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.959g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.012g/mol
Monoisotopic Mass:
184.959g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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