3-Fluoro-5-iodotoluene

CAT: 0127-PC2702-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-PC2702-01Size:1 g

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CAS Number

491862-84-1

Synonyms

3-Fluoro-5-iodomethylbenzene

MDL Number

MFCD07779015

Purity

98%

Smiles

Cc1cc(F)cc(I)c1

Chemical Information

1-Fluoro-3-iodo-5-methylbenzene

CAS Number	491862-84-1
PubChem CID	12020436
IUPAC Name	1-fluoro-3-iodo-5-methylbenzene
Molecular Formula	C7H6FI
Molecular Weight	236.02
XLogP	3
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	94

SMILES

CC1=CC(=CC(=C1)I)F

InChI

InChI=1S/C7H6FI/c1-5-2-6(8)4-7(9)3-5/h2-4H,1H3

InChIKey

OIYMMFUTIUURQT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 491862-84-1

CID: 12020436

Formula: C7H6FI

MW: 236.02

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	236.02
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	235.94983
Monoisotopic Mass	235.94983
Topological Polar Surface Area	0 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	94.9
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes