Benzene, 1-bromo-3-methoxy-5-methyl-


Chemical Name: Benzene, 1-bromo-3-methoxy-5-methyl-
CAS Number: 29578-83-4
Product Number: AG002YSH(AGN-PC-07H7UH)
Synonyms:
MDL No: MFCD08061916
Molecular Formula: C8H9BrO
Molecular Weight: 201.0605

Identification/Properties


Computed Properties
Molecular Weight:
201.063g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
199.984g/mol
Monoisotopic Mass:
199.984g/mol
Topological Polar Surface Area:
9.2A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
105
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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