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Home > Aldehydes > 1782543-66-1
1782543-66-1 | Benzaldehyde, 2-(1,1-difluoroethyl)-
CAS No: 1782543-66-1 Catalog No: AG0025VN MDL No:MFCD28519105
Product Description
Catalog Number:
AG0025VN
Chemical Name:
Benzaldehyde, 2-(1,1-difluoroethyl)-
CAS Number:
1782543-66-1
Molecular Formula:
C9H8F2O
Molecular Weight:
170.1560
MDL Number:
MFCD28519105
IUPAC Name:
2-(1,1-difluoroethyl)benzaldehyde
InChI:
InChI=1S/C9H8F2O/c1-9(10,11)8-5-3-2-4-7(8)6-12/h2-6H,1H3
InChI Key:
QZKIXYCJRKFXAE-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1C(F)(F)C
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.054g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.159g/mol
Monoisotopic Mass:
170.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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