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13332-26-8 | Benzene, 2-bromo-1,4,5-trifluoro-3-methoxy-
CAS No: 13332-26-8 Catalog No: AG0014MI MDL No:
Product Description
Catalog Number:
AG0014MI
Chemical Name:
Benzene, 2-bromo-1,4,5-trifluoro-3-methoxy-
CAS Number:
13332-26-8
Molecular Formula:
C7H4BrF3O
Molecular Weight:
241.0053
IUPAC Name:
2-bromo-1,4,5-trifluoro-3-methoxybenzene
InChI:
InChI=1S/C7H4BrF3O/c1-12-7-5(8)3(9)2-4(10)6(7)11/h2H,1H3
InChI Key:
QPXFPJGLPDMXQJ-UHFFFAOYSA-N
SMILES:
COc1c(F)c(F)cc(c1Br)F
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.94g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.007g/mol
Monoisotopic Mass:
239.94g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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