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1448869-67-7

1448869-67-7 | 1H-Imidazole-4-carboxylic acid, 2-bromo-1-(1-methylethyl)-, ethyl ester

CAS No: 1448869-67-7 Catalog No: AG001KAD MDL No:MFCD30489390

Product Description

Catalog Number:
AG001KAD
Chemical Name:
1H-Imidazole-4-carboxylic acid, 2-bromo-1-(1-methylethyl)-, ethyl ester
CAS Number:
1448869-67-7
Molecular Formula:
C9H13BrN2O2
Molecular Weight:
261.1157
MDL Number:
MFCD30489390
IUPAC Name:
ethyl 2-bromo-1-propan-2-ylimidazole-4-carboxylate
InChI:
InChI=1S/C9H13BrN2O2/c1-4-14-8(13)7-5-12(6(2)3)9(10)11-7/h5-6H,4H2,1-3H3
InChI Key:
NNUJJAUUBLDRIP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cn(c(n1)Br)C(C)C

Properties

Complexity:
211  
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:
4  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

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