methyl 2-amino-3-fluoro-5-iodobenzoate

methyl 2-amino-3-fluoro-5-iodobenzoate

CAS: 2091147-12-3

Formula: C8H7FINO2

SMILES: COC(=O)C1=C(N)C(F)=CC(I)=C1

IUPAC: methyl 2-amino-3-fluoro-5-iodobenzoate

InChI: InChI=1S/C8H7FINO2/c1-13-8(12)5-2-4(10)3-6(9)7(5)11/h2-3H,11H2,1H3

Composition: C (32.57%), H (2.39%), F (6.44%), I (43.01%), N (4.75%), O (10.84%)

Molar Mass: 295.052

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	294.95055
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	WBLXHILFBNQEBN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.36
Topological Polar Surface Area	52.32
Polarizability	21.05
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<2 Days	2091147-12-3		$241.50-$1,121.25$241.50$345.00$1,121.25