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16650-55-8

16650-55-8 | 1-Naphthalenecarboxylic acid, 4-bromo-

CAS No: 16650-55-8 Catalog No: AG001WSK MDL No:MFCD00094221

Product Description

Catalog Number:
AG001WSK
Chemical Name:
1-Naphthalenecarboxylic acid, 4-bromo-
CAS Number:
16650-55-8
Molecular Formula:
C11H7BrO2
Molecular Weight:
251.0761
MDL Number:
MFCD00094221
IUPAC Name:
4-bromonaphthalene-1-carboxylic acid
InChI:
InChI=1S/C11H7BrO2/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6H,(H,13,14)
InChI Key:
FIJIPZQZVLCOMB-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c2c1cccc2)Br
NSC Number:
136147

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:
3.8  

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