Home Bromides 1013-80-5
1013-80-5,MFCD18410726
Catalog No.:AA000440
1013-80-5 | 4-Bromo-2-naphthoic acid
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250mg
95%
1 week  
$607.00   $425.00
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Technical Information
Catalog Number:
AA000440
Chemical Name:
4-Bromo-2-naphthoic acid
CAS Number:
1013-80-5
Molecular Formula:
C11H7BrO2
Molecular Weight:
251.0761
MDL Number:
MFCD18410726
IUPAC Name:
4-bromonaphthalene-2-carboxylic acid
InChI:
InChI=1S/C11H7BrO2/c12-10-6-8(11(13)14)5-7-3-1-2-4-9(7)10/h1-6H,(H,13,14)
InChI Key:
MSWOSGXPFKDJRE-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(Br)c2c(c1)cccc2
Properties
Computed Properties
 
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.963g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
251.079g/mol
Monoisotopic Mass:
249.963g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

Synonyms
 
4-bromo-2-naphthoic acid 
1013-80-5 
4-bromonaphthalene-2-carboxylic acid 
2-Naphthalenecarboxylic acid, 4-bromo- 
SCHEMBL6617677 
MFCD18410726 
ZINC142101342 
AK224194 
Ethyl 4-bromo-2-naphthoate 
1261624-11-6 
Literature
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