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1007579-67-0 | Benzaldehyde, 4-iodo-2-(trifluoromethyl)-
CAS No: 1007579-67-0 Catalog No: AG0002TE MDL No:
Product Description
Catalog Number:
AG0002TE
Chemical Name:
Benzaldehyde, 4-iodo-2-(trifluoromethyl)-
CAS Number:
1007579-67-0
Molecular Formula:
C8H4F3IO
Molecular Weight:
300.0164
IUPAC Name:
4-iodo-2-(trifluoromethyl)benzaldehyde
InChI:
InChI=1S/C8H4F3IO/c9-8(10,11)7-3-6(12)2-1-5(7)4-13/h1-4H
InChI Key:
KKFCXRKONPDJPV-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1C(F)(F)F)I
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.926g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.019g/mol
Monoisotopic Mass:
299.926g/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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