Home Aldehydes 4-(1,1-difluoroethyl)benzaldehyde

4-(1,1-difluoroethyl)benzaldehyde

CAS No.:
55805-22-6
Catalog Number:
AG00DJDJ
Molecular Formula:
C9H8F2O
Molecular Weight:
170.1560
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Product Description
Catalog Number:
AG00DJDJ
Chemical Name:
4-(1,1-difluoroethyl)benzaldehyde
CAS Number:
55805-22-6
Molecular Formula:
C9H8F2O
Molecular Weight:
170.1560
MDL Number:
MFCD17015610
IUPAC Name:
4-(1,1-difluoroethyl)benzaldehyde
InChI:
InChI=1S/C9H8F2O/c1-9(10,11)8-4-2-7(6-12)3-5-8/h2-6H,1H3
InChI Key:
GNYSRMQNMACKRL-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)C(F)(F)C
Properties
Complexity:
160  
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:
2.6  
Properties