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82096-91-1 | 2-Chloro-4-(trifluoromethyl)benzaldehyde
CAS No: 82096-91-1 Catalog No: AG0036J8 MDL No:MFCD04112538
Product Description
Catalog Number:
AG0036J8
Chemical Name:
2-Chloro-4-(trifluoromethyl)benzaldehyde
CAS Number:
82096-91-1
Molecular Formula:
C8H4ClF3O
Molecular Weight:
208.5650
MDL Number:
MFCD04112538
IUPAC Name:
2-chloro-4-(trifluoromethyl)benzaldehyde
InChI:
InChI=1S/C8H4ClF3O/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-4H
InChI Key:
YMMPHWVSJASKAC-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1Cl)C(F)(F)F
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.99g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.564g/mol
Monoisotopic Mass:
207.99g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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