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52331-42-7 | 1-Methyl-4-(trifluoromethyl)naphthalene
CAS No: 52331-42-7 Catalog No: AG01EWCM MDL No:
Product Description
Catalog Number:
AG01EWCM
Chemical Name:
1-Methyl-4-(trifluoromethyl)naphthalene
CAS Number:
52331-42-7
Molecular Formula:
C12H9F3
Molecular Weight:
210.1951
IUPAC Name:
1-methyl-4-(trifluoromethyl)naphthalene
InChI:
InChI=1S/C12H9F3/c1-8-6-7-11(12(13,14)15)10-5-3-2-4-9(8)10/h2-7H,1H3
InChI Key:
ZLTBAVNWQOCMIB-UHFFFAOYSA-N
SMILES:
Cc1ccc(c2c1cccc2)C(F)(F)F
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.066g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.199g/mol
Monoisotopic Mass:
210.066g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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