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5088-94-8 | 8-iodo-2-naphthoic acid
CAS No: 5088-94-8 Catalog No: AG01DJCJ MDL No:MFCD08689556
Product Description
Catalog Number:
AG01DJCJ
Chemical Name:
8-iodo-2-naphthoic acid
CAS Number:
5088-94-8
Molecular Formula:
C11H7IO2
Molecular Weight:
298.0765
MDL Number:
MFCD08689556
IUPAC Name:
8-iodonaphthalene-2-carboxylic acid
InChI:
InChI=1S/C11H7IO2/c12-10-3-1-2-7-4-5-8(11(13)14)6-9(7)10/h1-6H,(H,13,14)
InChI Key:
YHJSZTVYBQXYDT-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)c(I)ccc2
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.949g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.079g/mol
Monoisotopic Mass:
297.949g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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