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1261862-94-5 | 2-(5-fluoro-2-iodophenyl)acetic acid
CAS No: 1261862-94-5 Catalog No: AG000S2C MDL No:MFCD04107812
Product Description
Catalog Number:
AG000S2C
Chemical Name:
2-(5-fluoro-2-iodophenyl)acetic acid
CAS Number:
1261862-94-5
Molecular Formula:
C8H6FIO2
Molecular Weight:
280.0349
MDL Number:
MFCD04107812
IUPAC Name:
2-(5-fluoro-2-iodophenyl)acetic acid
InChI:
InChI=1S/C8H6FIO2/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3H,4H2,(H,11,12)
InChI Key:
OBEXNSZMGOLBIU-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cc(F)ccc1I
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.94g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.037g/mol
Monoisotopic Mass:
279.94g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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