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16817-43-9 | Benzene, 4-bromo-1-chloro-2-methoxy-
CAS No: 16817-43-9 Catalog No: AG001XWN MDL No:MFCD00078659
Product Description
Catalog Number:
AG001XWN
Chemical Name:
Benzene, 4-bromo-1-chloro-2-methoxy-
CAS Number:
16817-43-9
Molecular Formula:
C7H6BrClO
Molecular Weight:
221.4789
MDL Number:
MFCD00078659
IUPAC Name:
4-bromo-1-chloro-2-methoxybenzene
InChI:
InChI=1S/C7H6BrClO/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,1H3
InChI Key:
UAMVKOTWSHJOSY-UHFFFAOYSA-N
SMILES:
COc1cc(Br)ccc1Cl
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.929g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.478g/mol
Monoisotopic Mass:
219.929g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| New hydroxylated metabolites of 4-monochlorobiphenyl in whole poplar plants. | Chemistry Central journal 20110101 |
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