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


Chemical Name: Benzene, 1-bromo-3-chloro-5-methoxy-
CAS Number: 174913-12-3
Product Number: AG00201X(AGN-PC-03I6DB)
Synonyms:
MDL No:
Molecular Formula: C7H6BrClO
Molecular Weight: 221.4789

Identification/Properties


Computed Properties
Molecular Weight:
221.478g/mol
XLogP3:
3.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
219.929g/mol
Monoisotopic Mass:
219.929g/mol
Topological Polar Surface Area:
9.2A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
110
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

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NMR Spectrum


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