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627527-23-5 | 3-Bromo-5-(trifluoromethyl)anisole
CAS No: 627527-23-5 Catalog No: AG0036ZJ MDL No:MFCD09999639
Product Description
Catalog Number:
AG0036ZJ
Chemical Name:
3-Bromo-5-(trifluoromethyl)anisole
CAS Number:
627527-23-5
Molecular Formula:
C8H6BrF3O
Molecular Weight:
255.0318
MDL Number:
MFCD09999639
IUPAC Name:
1-bromo-3-methoxy-5-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H6BrF3O/c1-13-7-3-5(8(10,11)12)2-6(9)4-7/h2-4H,1H3
InChI Key:
IBEKZIYJONXDRY-UHFFFAOYSA-N
SMILES:
COc1cc(Br)cc(c1)C(F)(F)F
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.955g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.034g/mol
Monoisotopic Mass:
253.955g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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