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438531-38-5 | 4-[(4-iodophenoxy)methyl]benzoic acid
CAS No: 438531-38-5 Catalog No: AG00JKG7 MDL No:MFCD03419330
Product Description
Catalog Number:
AG00JKG7
Chemical Name:
4-[(4-iodophenoxy)methyl]benzoic acid
CAS Number:
438531-38-5
Molecular Formula:
C14H11IO3
Molecular Weight:
354.1398
MDL Number:
MFCD03419330
IUPAC Name:
4-[(4-iodophenoxy)methyl]benzoic acid
InChI:
InChI=1S/C14H11IO3/c15-12-5-7-13(8-6-12)18-9-10-1-3-11(4-2-10)14(16)17/h1-8H,9H2,(H,16,17)
InChI Key:
WTRXQLMREUPNNT-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)OCc1ccc(cc1)C(=O)O
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.975g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.143g/mol
Monoisotopic Mass:
353.975g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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