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Home Halogens tert-butyl 2-bromo-1-methyl-1H-imidazole-4-carboxylate

tert-butyl 2-bromo-1-methyl-1H-imidazole-4-carboxylate

CAS No.:
1987897-04-0
Catalog Number:
AG01B5GB
Molecular Formula:
C9H13BrN2O2
Molecular Weight:
261.1157
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Product Description
Catalog Number:
AG01B5GB
Chemical Name:
tert-butyl 2-bromo-1-methyl-1H-imidazole-4-carboxylate
CAS Number:
1987897-04-0
Molecular Formula:
C9H13BrN2O2
Molecular Weight:
261.1157
MDL Number:
MFCD30344903
IUPAC Name:
tert-butyl 2-bromo-1-methylimidazole-4-carboxylate
InChI:
InChI=1S/C9H13BrN2O2/c1-9(2,3)14-7(13)6-5-12(4)8(10)11-6/h5H,1-4H3
InChI Key:
GXZUMHALIJKQKY-UHFFFAOYSA-N
SMILES:
O=C(c1cn(c(n1)Br)C)OC(C)(C)C
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.016g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.119g/mol
Monoisotopic Mass:
260.016g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties