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1261874-58-1 | Benzeneacetic acid, 3-fluoro-4-iodo-
CAS No: 1261874-58-1 Catalog No: AG000S3E MDL No:MFCD18396995
Product Description
Catalog Number:
AG000S3E
Chemical Name:
Benzeneacetic acid, 3-fluoro-4-iodo-
CAS Number:
1261874-58-1
Molecular Formula:
C8H6FIO2
Molecular Weight:
280.0349
MDL Number:
MFCD18396995
IUPAC Name:
2-(3-fluoro-4-iodophenyl)acetic acid
InChI:
InChI=1S/C8H6FIO2/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3H,4H2,(H,11,12)
InChI Key:
CMRUORQQYMIYDF-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(c(c1)F)I
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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