(3-Fluoro-4-iodophenyl) methanamine

CAT: 0127-PC1005359-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1005359-01Size:100 mg

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CAS Number

1261615-99-9

MDL Number

MFCD18396952

Purity

98%

Smiles

NCC1=CC=C(I)C(F)=C1

Chemical Information

(3-Fluoro-4-iodophenyl)methanamine

CAS Number	1261615-99-9
PubChem CID	53414486
IUPAC Name	(3-fluoro-4-iodophenyl)methanamine
Molecular Formula	C7H7FIN
Molecular Weight	251.04
XLogP	1.5
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	110

SMILES

C1=CC(=C(C=C1CN)F)I

InChI

InChI=1S/C7H7FIN/c8-6-3-5(4-10)1-2-7(6)9/h1-3H,4,10H2

InChIKey

VTHLPHQOKQJTNO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1261615-99-9

CID: 53414486

Formula: C7H7FIN

MW: 251.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	251.04
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	250.96072
Monoisotopic Mass	250.96072
Topological Polar Surface Area	26 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	110
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

Catalog	Name
PC1004052-01	(2-Fluoro-4-iodophenyl) methanamine
OR1036025-01	(4-Chloro-3-iodophenyl) methanamine hydrochloride
OR75317-01	(2-Iodophenyl) methanamine
PC1013602-01	1- (4-Fluoro-3-iodophenyl) ethanone
PC1016689	(4-fluoro-3-iodophenyl) (methyl) sulfane
PC1025597-01	(3-Fluoro-4-iodophenyl) (methyl) sulfane
PC904897-01	(4-Fluoro-3-nitrophenyl) methanamine
PC1011095-01	4-fluoro-α- (4-iodophenyl) -Benzenemethanol
OR1038809-01	(2-Iodophenyl) methanamine hydrochloride
PC1016117-01	(3-Chloro-4-fluoro-5-iodophenyl) methanol

Catalog	Name
AL BW 2059-01	(2-fluoro-4-iodophenyl) methanamine
YPD31590-01	(3-Fluoro-5-iodophenyl) methanamine hydrochloride
AL BW 2063-01	(2-fluoro-5-iodophenyl) methanamine
MCB62352-01	(3-Chloro-4-iodophenyl) methanamine
FPD79933-01	(4-Chlorophenyl) (3-iodophenyl) methanamine hydrochloride
ZFA93679-01	(3-Chloro-4-iodophenyl) methanamine hydrochloride
RG-I150407-01	(3-Iodophenyl) Methanamine Hydrochloride
FPD79882-01	(4-Chlorophenyl) (4-iodophenyl) methanamine hydrochloride
AL BW 0704-01	(2-iodophenyl) methanamine
AL BW 0974-01	(4-fluoro-3-methoxyphenyl) methanamine