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1215206-40-8 | [1,1'-Biphenyl]-3-carboxylic acid, 3'-iodo-
CAS No: 1215206-40-8 Catalog No: AG00156P MDL No:MFCD15143484
Product Description
Catalog Number:
AG00156P
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 3'-iodo-
CAS Number:
1215206-40-8
Molecular Formula:
C13H9IO2
Molecular Weight:
324.1138
MDL Number:
MFCD15143484
IUPAC Name:
3-(3-iodophenyl)benzoic acid
InChI:
InChI=1S/C13H9IO2/c14-12-6-2-4-10(8-12)9-3-1-5-11(7-9)13(15)16/h1-8H,(H,15,16)
InChI Key:
RZGXSEXPBQYOMH-UHFFFAOYSA-N
SMILES:
Ic1cccc(c1)c1cccc(c1)C(=O)O
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.965g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.117g/mol
Monoisotopic Mass:
323.965g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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