Home Halogens 4-bromo-1-methyl-1H-1,2,3-triazole-5-carbaldehyde

4-bromo-1-methyl-1H-1,2,3-triazole-5-carbaldehyde

CAS No.:
1402465-82-0
Catalog Number:
AG01BC9L
Molecular Formula:
C4H4BrN3O
Molecular Weight:
189.9981
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Product Description
Catalog Number:
AG01BC9L
Chemical Name:
4-bromo-1-methyl-1H-1,2,3-triazole-5-carbaldehyde
CAS Number:
1402465-82-0
Molecular Formula:
C4H4BrN3O
Molecular Weight:
189.9981
MDL Number:
MFCD28130318
IUPAC Name:
5-bromo-3-methyltriazole-4-carbaldehyde
InChI:
InChI=1S/C4H4BrN3O/c1-8-3(2-9)4(5)6-7-8/h2H,1H3
InChI Key:
VEENYDFRMABVST-UHFFFAOYSA-N
SMILES:
O=Cc1c(Br)nnn1C
Properties
Complexity:
120  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.954g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190g/mol
Monoisotopic Mass:
188.954g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties