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36942-56-0 | 2-Bromo-4-methoxy-1-methylbenzene
CAS No: 36942-56-0 Catalog No: AG003A9Y MDL No:MFCD12547797
Product Description
Catalog Number:
AG003A9Y
Chemical Name:
2-Bromo-4-methoxy-1-methylbenzene
CAS Number:
36942-56-0
Molecular Formula:
C8H9BrO
Molecular Weight:
201.0605
MDL Number:
MFCD12547797
IUPAC Name:
2-bromo-4-methoxy-1-methylbenzene
InChI:
InChI=1S/C8H9BrO/c1-6-3-4-7(10-2)5-8(6)9/h3-5H,1-2H3
InChI Key:
MGRYVEDNIGXKQE-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)Br)C
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.984g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.063g/mol
Monoisotopic Mass:
199.984g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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