methyl 5-bromo-4-chloro-2-methoxybenzoate


Chemical Name: methyl 5-bromo-4-chloro-2-methoxybenzoate
CAS Number: 951885-11-3
Product Number: AG00IIT6(AGN-PC-0570E2)
Synonyms:
MDL No:
Molecular Formula: C9H8BrClO3
Molecular Weight: 279.5150

Identification/Properties


Computed Properties
Molecular Weight:
279.514g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
277.935g/mol
Monoisotopic Mass:
277.935g/mol
Topological Polar Surface Area:
35.5A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
212
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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