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Home > Aldehydes > 2054953-01-2
2054953-01-2 | 4-bromo-1-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carbaldehyde
CAS No: 2054953-01-2 Catalog No: AG01EMAE MDL No:MFCD31417567
Product Description
Catalog Number:
AG01EMAE
Chemical Name:
4-bromo-1-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carbaldehyde
CAS Number:
2054953-01-2
Molecular Formula:
C6H4BrF3N2O
Molecular Weight:
257.0080
MDL Number:
MFCD31417567
IUPAC Name:
4-bromo-1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde
InChI:
InChI=1S/C6H4BrF3N2O/c7-4-1-12(3-6(8,9)10)11-5(4)2-13/h1-2H,3H2
InChI Key:
NMUGLRGBEQXAOJ-UHFFFAOYSA-N
SMILES:
O=Cc1nn(cc1Br)CC(F)(F)F
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.946g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.01g/mol
Monoisotopic Mass:
255.946g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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