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15813-08-8

15813-08-8 | 1H-Imidazole, 5-bromo-4-methyl-

CAS No: 15813-08-8 Catalog No: AG001Q0F MDL No:MFCD22421584

Product Description

Catalog Number:
AG001Q0F
Chemical Name:
1H-Imidazole, 5-bromo-4-methyl-
CAS Number:
15813-08-8
Molecular Formula:
C4H5BrN2
Molecular Weight:
160.9999
MDL Number:
MFCD22421584
IUPAC Name:
4-bromo-5-methyl-1H-imidazole
InChI:
InChI=1S/C4H5BrN2/c1-3-4(5)7-2-6-3/h2H,1H3,(H,6,7)
InChI Key:
APWKDMLCPWYWKA-UHFFFAOYSA-N
SMILES:
Cc1nc[nH]c1Br

Properties

Complexity:
66.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.964g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
161.002g/mol
Monoisotopic Mass:
159.964g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

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