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122670-67-1 | Naphthalene, 2-bromo-6-methoxy-1-methyl-5-(trifluoromethyl)-
CAS No: 122670-67-1 Catalog No: AG0017LX MDL No:
Product Description
Catalog Number:
AG0017LX
Chemical Name:
Naphthalene, 2-bromo-6-methoxy-1-methyl-5-(trifluoromethyl)-
CAS Number:
122670-67-1
Molecular Formula:
C13H10BrF3O
Molecular Weight:
319.1171
IUPAC Name:
2-bromo-6-methoxy-1-methyl-5-(trifluoromethyl)naphthalene
InChI:
InChI=1S/C13H10BrF3O/c1-7-8-4-6-11(18-2)12(13(15,16)17)9(8)3-5-10(7)14/h3-6H,1-2H3
InChI Key:
KXZLUSAZARKOQU-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1C(F)(F)F)ccc(c2C)Br
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.987g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.121g/mol
Monoisotopic Mass:
317.987g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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