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Home > Bromides > 1226808-61-2
1226808-61-2 | Benzene, 1-bromo-3-chloro-2-methoxy-4-methyl-
CAS No: 1226808-61-2 Catalog No: AG0017M5 MDL No:MFCD16295101
Product Description
Catalog Number:
AG0017M5
Chemical Name:
Benzene, 1-bromo-3-chloro-2-methoxy-4-methyl-
CAS Number:
1226808-61-2
Molecular Formula:
C8H8BrClO
Molecular Weight:
235.5055
MDL Number:
MFCD16295101
IUPAC Name:
1-bromo-3-chloro-2-methoxy-4-methylbenzene
InChI:
InChI=1S/C8H8BrClO/c1-5-3-4-6(9)8(11-2)7(5)10/h3-4H,1-2H3
InChI Key:
GJOCQLILGIJCOR-UHFFFAOYSA-N
SMILES:
COc1c(Br)ccc(c1Cl)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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