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377084-07-6

377084-07-6 | 3-(2,3,4-TRIFLUORO-PHENYL)-PROPIONALDEHYDE

CAS No: 377084-07-6 Catalog No: AG0078D2 MDL No:

Product Description

Catalog Number:
AG0078D2
Chemical Name:
3-(2,3,4-TRIFLUORO-PHENYL)-PROPIONALDEHYDE
CAS Number:
377084-07-6
Molecular Formula:
C9H7F3O
Molecular Weight:
188.1465
IUPAC Name:
3-(2,3,4-trifluorophenyl)propanal
InChI:
InChI=1S/C9H7F3O/c10-7-4-3-6(2-1-5-13)8(11)9(7)12/h3-5H,1-2H2
InChI Key:
QJQMJQUKYWDDQK-UHFFFAOYSA-N
SMILES:
Fc1c(CCC=O)ccc(c1F)F

Properties

Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.045g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.149g/mol
Monoisotopic Mass:
188.045g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

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