Home Carboxys 2-Bromonaphthalene-1-carboxylic acid

2-Bromonaphthalene-1-carboxylic acid

CAS No.:
17542-05-1
Catalog Number:
AG00AKJ5
Molecular Formula:
C11H7BrO2
Molecular Weight:
251.0761
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Product Description
Catalog Number:
AG00AKJ5
Chemical Name:
2-Bromonaphthalene-1-carboxylic acid
CAS Number:
17542-05-1
Molecular Formula:
C11H7BrO2
Molecular Weight:
251.0761
IUPAC Name:
2-bromonaphthalene-1-carboxylic acid
InChI:
InChI=1S/C11H7BrO2/c12-9-6-5-7-3-1-2-4-8(7)10(9)11(13)14/h1-6H,(H,13,14)
InChI Key:
VWVUFWQRRWSXAE-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(Br)ccc2c1cccc2
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:
3.4  
Properties