Home Carboxys 7-Bromo-naphthalene-2-carboxylic acid

7-Bromo-naphthalene-2-carboxylic acid

CAS No.:
5043-14-1
Catalog Number:
AG00DJTW
Molecular Formula:
C11H7BrO2
Molecular Weight:
251.0761
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Product Description
Catalog Number:
AG00DJTW
Chemical Name:
7-Bromo-naphthalene-2-carboxylic acid
CAS Number:
5043-14-1
Molecular Formula:
C11H7BrO2
Molecular Weight:
251.0761
MDL Number:
MFCD18410727
IUPAC Name:
7-bromonaphthalene-2-carboxylic acid
InChI:
InChI=1S/C11H7BrO2/c12-10-4-3-7-1-2-8(11(13)14)5-9(7)6-10/h1-6H,(H,13,14)
InChI Key:
LFABKBCBWUOHGM-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)cc(cc2)C(=O)O
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:
4  
Properties