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20717-80-0 | 2-Naphthalenecarboxylic acid, 3-bromo-
CAS No: 20717-80-0 Catalog No: AG002IVQ MDL No:MFCD00089977
Product Description
Catalog Number:
AG002IVQ
Chemical Name:
2-Naphthalenecarboxylic acid, 3-bromo-
CAS Number:
20717-80-0
Molecular Formula:
C11H7BrO2
Molecular Weight:
251.0761
MDL Number:
MFCD00089977
IUPAC Name:
3-bromonaphthalene-2-carboxylic acid
InChI:
InChI=1S/C11H7BrO2/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6H,(H,13,14)
InChI Key:
KJEICVAXCBDOSH-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2ccccc2cc1Br
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
Literature
| Title | Journal |
|---|---|
| Structure-activity relationships and mechanism of action of antitumor benzo[b]pyrano[3,2-h]acridin-7-one acronycine analogues. | Journal of medicinal chemistry 20030703 |
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