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Home > Fluorides > 207462-72-4
207462-72-4 | Benzenepropanal, 3,5-difluoro-
CAS No: 207462-72-4 Catalog No: AG002J2A MDL No:MFCD09028598
Product Description
Catalog Number:
AG002J2A
Chemical Name:
Benzenepropanal, 3,5-difluoro-
CAS Number:
207462-72-4
Molecular Formula:
C9H8F2O
Molecular Weight:
170.1560
MDL Number:
MFCD09028598
IUPAC Name:
3-(3,5-difluorophenyl)propanal
InChI:
InChI=1S/C9H8F2O/c10-8-4-7(2-1-3-12)5-9(11)6-8/h3-6H,1-2H2
InChI Key:
NJAUQMVRMVVAMV-UHFFFAOYSA-N
SMILES:
O=CCCc1cc(F)cc(c1)F
Properties
Complexity:
140
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
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