Benzoic acid, 4-(bromomethyl)-3-methoxy-, methyl ester


Chemical Name: Benzoic acid, 4-(bromomethyl)-3-methoxy-, methyl ester
CAS Number: 70264-94-7
Product Number: AG00FA9X(AGN-PC-0C1CF4)
Synonyms:
MDL No: MFCD00270115
Molecular Formula: C10H11BrO3
Molecular Weight: 259.0965

Identification/Properties


Computed Properties
Molecular Weight:
259.099g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
257.989g/mol
Monoisotopic Mass:
257.989g/mol
Topological Polar Surface Area:
35.5A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
196
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:
Danger
UN#:
3261
Hazard Statements:
H315-H318-H317-H410
Precautionary Statements:
P501-P261-P273-P272-P264-P280-P302+P352-P391-P362+P364-P333+P313-P305+P351+P338+P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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