2-Naphthalenecarboxylic acid, 5-bromo-


Chemical Name: 2-Naphthalenecarboxylic acid, 5-bromo-
CAS Number: 1013-83-8
Product Number: AG00046Q(AGN-PC-0034G2)
Synonyms:
MDL No:
Molecular Formula: C11H7BrO2
Molecular Weight: 251.0761

Identification/Properties


Computed Properties
Molecular Weight:
251.079g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
249.963g/mol
Monoisotopic Mass:
249.963g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
229
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-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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