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Home > Aldehydes > 2060029-09-4
2060029-09-4 | 4-bromo-1-ethyl-1H-1,2,3-triazole-5-carbaldehyde
CAS No: 2060029-09-4 Catalog No: AG01BQBP MDL No:MFCD30501252
Product Description
Catalog Number:
AG01BQBP
Chemical Name:
4-bromo-1-ethyl-1H-1,2,3-triazole-5-carbaldehyde
CAS Number:
2060029-09-4
Molecular Formula:
C5H6BrN3O
Molecular Weight:
204.0246
MDL Number:
MFCD30501252
IUPAC Name:
5-bromo-3-ethyltriazole-4-carbaldehyde
InChI:
InChI=1S/C5H6BrN3O/c1-2-9-4(3-10)5(6)7-8-9/h3H,2H2,1H3
InChI Key:
YLRMJGVTZGZHCP-UHFFFAOYSA-N
SMILES:
O=Cc1c(Br)nnn1CC
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.969g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.027g/mol
Monoisotopic Mass:
202.969g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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