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Home > Aldehydes > 1780417-29-9
1780417-29-9 | 4-(difluoromethyl)-3-fluorobenzaldehyde
CAS No: 1780417-29-9 Catalog No: AG01BHWP MDL No:MFCD28519660
Product Description
Catalog Number:
AG01BHWP
Chemical Name:
4-(difluoromethyl)-3-fluorobenzaldehyde
CAS Number:
1780417-29-9
Molecular Formula:
C8H5F3O
Molecular Weight:
174.1199
MDL Number:
MFCD28519660
IUPAC Name:
4-(difluoromethyl)-3-fluorobenzaldehyde
InChI:
InChI=1S/C8H5F3O/c9-7-3-5(4-12)1-2-6(7)8(10)11/h1-4,8H
InChI Key:
HTIKBKYQIGNSFZ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)F)C(F)F
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.029g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.122g/mol
Monoisotopic Mass:
174.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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