Benzoic acid, 3-bromo-4-methoxy-, methyl ester


Chemical Name: Benzoic acid, 3-bromo-4-methoxy-, methyl ester
CAS Number: 35450-37-4
Product Number: AG00BXNF(AGN-PC-0JTRWU)
Synonyms:
MDL No: MFCD00210463
Molecular Formula: C9H9BrO3
Molecular Weight: 245.0700

Identification/Properties


Computed Properties
Molecular Weight:
245.072g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
243.974g/mol
Monoisotopic Mass:
243.974g/mol
Topological Polar Surface Area:
35.5A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
184
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#:
2811
Hazard Statements:
H301-H319
Precautionary Statements:
P301+P310-P305+P351+P338
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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