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134099-28-8 | 3,4-DIFLUORO-5-(TRIFLUOROMETHYL)BENZALDEHYDE
CAS No: 134099-28-8 Catalog No: AG007MKD MDL No:
Product Description
Catalog Number:
AG007MKD
Chemical Name:
3,4-DIFLUORO-5-(TRIFLUOROMETHYL)BENZALDEHYDE
CAS Number:
134099-28-8
Molecular Formula:
C8H3F5O
Molecular Weight:
210.1008
IUPAC Name:
3,4-difluoro-5-(trifluoromethyl)benzaldehyde
InChI:
InChI=1S/C8H3F5O/c9-6-2-4(3-14)1-5(7(6)10)8(11,12)13/h1-3H
InChI Key:
OANOWXFVOONYHQ-UHFFFAOYSA-N
SMILES:
O=Cc1cc(F)c(c(c1)C(F)(F)F)F
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.01g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.103g/mol
Monoisotopic Mass:
210.01g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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