Benzoic acid, 2-amino-3-bromo-5-chloro-


Chemical Name: Benzoic acid, 2-amino-3-bromo-5-chloro-
CAS Number: 41198-02-1
Product Number: AG00C9RA(AGN-PC-00G08W)
Synonyms:
MDL No:
Molecular Formula: C7H5BrClNO2
Molecular Weight: 250.4771

Identification/Properties


Computed Properties
Molecular Weight:
250.476g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
248.919g/mol
Monoisotopic Mass:
248.919g/mol
Topological Polar Surface Area:
63.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
190
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:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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