4-bromo-2,6-dichlorobenzoic acid


Chemical Name: 4-bromo-2,6-dichlorobenzoic acid
CAS Number: 232275-51-3
Product Number: AG002MKI(AGN-PC-03TFBY)
Synonyms:
MDL No:
Molecular Formula: C7H3BrCl2O2
Molecular Weight: 269.9075

Identification/Properties


Computed Properties
Molecular Weight:
269.903g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
267.869g/mol
Monoisotopic Mass:
267.869g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
176
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:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


PNMR/4-BROMO-26-DICHLOROBENZOIC_ACID-232275-51-3-hnmr.PDF

Other Analytical Data


POTHER/4-BROMO-26-DICHLOROBENZOIC_ACID-232275-51-3-hplc.PDF

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