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63212-42-0 | 3-iodo-2-naphthoic acid
CAS No: 63212-42-0 Catalog No: AG00EJLW MDL No:MFCD11505652
Product Description
Catalog Number:
AG00EJLW
Chemical Name:
3-iodo-2-naphthoic acid
CAS Number:
63212-42-0
Molecular Formula:
C11H7IO2
Molecular Weight:
298.0765
MDL Number:
MFCD11505652
IUPAC Name:
3-iodonaphthalene-2-carboxylic acid
InChI:
InChI=1S/C11H7IO2/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6H,(H,13,14)
InChI Key:
DZBGUIUMPUTEMS-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2ccccc2cc1I
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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