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99866-71-4 | 2-Naphthalenecarboxylic acid, 5-iodo-
CAS No: 99866-71-4 Catalog No: AG003W6T MDL No:MFCD17012448
Product Description
Catalog Number:
AG003W6T
Chemical Name:
2-Naphthalenecarboxylic acid, 5-iodo-
CAS Number:
99866-71-4
Molecular Formula:
C11H7IO2
Molecular Weight:
298.0765
MDL Number:
MFCD17012448
IUPAC Name:
5-iodonaphthalene-2-carboxylic acid
InChI:
InChI=1S/C11H7IO2/c12-10-3-1-2-7-6-8(11(13)14)4-5-9(7)10/h1-6H,(H,13,14)
InChI Key:
SVRZGKPAJVVTIG-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)cccc2I
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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