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Home > Fluorides > 1149379-03-2
1149379-03-2 | Benzoic acid, 6-fluoro-3-iodo-2-methyl-
CAS No: 1149379-03-2 Catalog No: AG000FG7 MDL No:MFCD18072866
Product Description
Catalog Number:
AG000FG7
Chemical Name:
Benzoic acid, 6-fluoro-3-iodo-2-methyl-
CAS Number:
1149379-03-2
Molecular Formula:
C8H6FIO2
Molecular Weight:
280.0349
MDL Number:
MFCD18072866
IUPAC Name:
6-fluoro-3-iodo-2-methylbenzoic acid
InChI:
InChI=1S/C8H6FIO2/c1-4-6(10)3-2-5(9)7(4)8(11)12/h2-3H,1H3,(H,11,12)
InChI Key:
BEPCNBFTDTZUJH-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(F)ccc(c1C)I
Properties
Complexity:
186
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:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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