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Home > Aldehydes > 1152542-08-9
1152542-08-9 | 3-(2,6-difluorophenyl)-1H-pyrazole-4-carbaldehyde
CAS No: 1152542-08-9 Catalog No: AG01A15I MDL No:MFCD10694840
Product Description
Catalog Number:
AG01A15I
Chemical Name:
3-(2,6-difluorophenyl)-1H-pyrazole-4-carbaldehyde
CAS Number:
1152542-08-9
Molecular Formula:
C10H6F2N2O
Molecular Weight:
208.1642
MDL Number:
MFCD10694840
IUPAC Name:
5-(2,6-difluorophenyl)-1H-pyrazole-4-carbaldehyde
InChI:
InChI=1S/C10H6F2N2O/c11-7-2-1-3-8(12)9(7)10-6(5-15)4-13-14-10/h1-5H,(H,13,14)
InChI Key:
ZYJVTZVRZMCKMI-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]nc1c1c(F)cccc1F
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.045g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.168g/mol
Monoisotopic Mass:
208.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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