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179897-95-1 | Benzene, 1-bromo-5-chloro-4-methoxy-2-methyl-
CAS No: 179897-95-1 Catalog No: AG0027CQ MDL No:MFCD11504949
Product Description
Catalog Number:
AG0027CQ
Chemical Name:
Benzene, 1-bromo-5-chloro-4-methoxy-2-methyl-
CAS Number:
179897-95-1
Molecular Formula:
C8H8BrClO
Molecular Weight:
235.5055
MDL Number:
MFCD11504949
IUPAC Name:
1-bromo-5-chloro-4-methoxy-2-methylbenzene
InChI:
InChI=1S/C8H8BrClO/c1-5-3-8(11-2)7(10)4-6(5)9/h3-4H,1-2H3
InChI Key:
ZSQSJXNQJJOEPA-UHFFFAOYSA-N
SMILES:
COc1cc(C)c(cc1Cl)Br
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.945g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.505g/mol
Monoisotopic Mass:
233.945g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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