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38492-84-1 | 1,3-DICHLORO-6-(TRIFLUOROMETHYL)PHENANTHREN-9-CARBOXALDEHYDE
CAS No: 38492-84-1 Catalog No: AG0079OY MDL No:
Product Description
Catalog Number:
AG0079OY
Chemical Name:
1,3-DICHLORO-6-(TRIFLUOROMETHYL)PHENANTHREN-9-CARBOXALDEHYDE
CAS Number:
38492-84-1
Molecular Formula:
C16H7Cl2F3O
Molecular Weight:
343.1274
IUPAC Name:
1,3-dichloro-6-(trifluoromethyl)phenanthrene-9-carbaldehyde
InChI:
InChI=1S/C16H7Cl2F3O/c17-10-5-13-12-4-9(16(19,20)21)1-2-11(12)8(7-22)3-14(13)15(18)6-10/h1-7H
InChI Key:
ZBUKGLLJDMRAAF-UHFFFAOYSA-N
SMILES:
O=Cc1cc2c(Cl)cc(cc2c2c1ccc(c2)C(F)(F)F)Cl
EC Number:
253-972-5
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.983g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.126g/mol
Monoisotopic Mass:
341.983g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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