Home Other Building Blocks Benzenepropanal, 3,4-difluoro-

Benzenepropanal, 3,4-difluoro-

CAS No.:
166947-10-0
Catalog Number:
AG001X15
Molecular Formula:
C9H8F2O
Molecular Weight:
170.1560
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Product Description
Catalog Number:
AG001X15
Chemical Name:
Benzenepropanal, 3,4-difluoro-
CAS Number:
166947-10-0
Molecular Formula:
C9H8F2O
Molecular Weight:
170.1560
MDL Number:
MFCD09028594
IUPAC Name:
3-(3,4-difluorophenyl)propanal
InChI:
InChI=1S/C9H8F2O/c10-8-4-3-7(2-1-5-12)6-9(8)11/h3-6H,1-2H2
InChI Key:
QOQHKNADIYNTIY-UHFFFAOYSA-N
SMILES:
O=CCCc1ccc(c(c1)F)F
Properties
Complexity:
150  
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:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties