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1003-91-4 | 1H-Imidazole, 2,4,5-tribromo-1-methyl-
CAS No: 1003-91-4 Catalog No: AG0001JC MDL No:MFCD00955564
Product Description
Catalog Number:
AG0001JC
Chemical Name:
1H-Imidazole, 2,4,5-tribromo-1-methyl-
CAS Number:
1003-91-4
Molecular Formula:
C4H3Br3N2
Molecular Weight:
318.7920
MDL Number:
MFCD00955564
IUPAC Name:
2,4,5-tribromo-1-methylimidazole
InChI:
InChI=1S/C4H3Br3N2/c1-9-3(6)2(5)8-4(9)7/h1H3
InChI Key:
KAMDVXMJRMNDCQ-UHFFFAOYSA-N
SMILES:
Brc1nc(c(n1C)Br)Br
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.783g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.794g/mol
Monoisotopic Mass:
315.785g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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