Benzoic acid, 3-bromo-2-(bromomethyl)-, methyl ester


Chemical Name: Benzoic acid, 3-bromo-2-(bromomethyl)-, methyl ester
CAS Number: 337536-14-8
Product Number: AG00C66Y(AGN-PC-03HJ9J)
Synonyms:
MDL No:
Molecular Formula: C9H8Br2O2
Molecular Weight: 307.9666

Identification/Properties


Properties
BP:
344.9°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
307.969g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
307.887g/mol
Monoisotopic Mass:
305.889g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
185
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:
H302-H314
Precautionary Statements:
P261-P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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