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Home > Aldehydes > 1152874-49-1
1152874-49-1 | 1-tert-butyl-3-(2-chlorophenyl)-1H-pyrazole-4-carbaldehyde
CAS No: 1152874-49-1 Catalog No: AG01AGW6 MDL No:MFCD11539834
Product Description
Catalog Number:
AG01AGW6
Chemical Name:
1-tert-butyl-3-(2-chlorophenyl)-1H-pyrazole-4-carbaldehyde
CAS Number:
1152874-49-1
Molecular Formula:
C14H15ClN2O
Molecular Weight:
262.7347
MDL Number:
MFCD11539834
IUPAC Name:
1-tert-butyl-3-(2-chlorophenyl)pyrazole-4-carbaldehyde
InChI:
InChI=1S/C14H15ClN2O/c1-14(2,3)17-8-10(9-18)13(16-17)11-6-4-5-7-12(11)15/h4-9H,1-3H3
InChI Key:
CGYQAGZVCZURMO-UHFFFAOYSA-N
SMILES:
O=Cc1cn(nc1c1ccccc1Cl)C(C)(C)C
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.087g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.737g/mol
Monoisotopic Mass:
262.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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