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79326-88-8 | 5-Bromo-1-methyl-1H-imidazole-2-carbaldehyde
CAS No: 79326-88-8 Catalog No: AG005KDT MDL No:MFCD09027273
Product Description
Catalog Number:
AG005KDT
Chemical Name:
5-Bromo-1-methyl-1H-imidazole-2-carbaldehyde
CAS Number:
79326-88-8
Molecular Formula:
C5H5BrN2O
Molecular Weight:
189.0100
MDL Number:
MFCD09027273
IUPAC Name:
5-bromo-1-methylimidazole-2-carbaldehyde
InChI:
InChI=1S/C5H5BrN2O/c1-8-4(6)2-7-5(8)3-9/h2-3H,1H3
InChI Key:
ZFUTWKQTEYLBKA-UHFFFAOYSA-N
SMILES:
Cn1c(C=O)ncc1Br
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.959g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.012g/mol
Monoisotopic Mass:
187.959g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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