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Home > Bromides > 1208077-43-3
1208077-43-3 | 1-?Bromo-?4-?chloro-?5-?methoxy-?2-?methylbenzene
CAS No: 1208077-43-3 Catalog No: AG01EQZJ MDL No:MFCD12547799
Product Description
Catalog Number:
AG01EQZJ
Chemical Name:
1-?Bromo-?4-?chloro-?5-?methoxy-?2-?methylbenzene
CAS Number:
1208077-43-3
Molecular Formula:
C8H8BrClO
Molecular Weight:
235.5055
MDL Number:
MFCD12547799
IUPAC Name:
1-bromo-4-chloro-5-methoxy-2-methylbenzene
InChI:
InChI=1S/C8H8BrClO/c1-5-3-7(10)8(11-2)4-6(5)9/h3-4H,1-2H3
InChI Key:
DQDGGESGQDCTGD-UHFFFAOYSA-N
SMILES:
COc1cc(Br)c(cc1Cl)C
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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