methyl 3-amino-4-(trifluoromethoxy)benzoate

methyl 3-amino-4-(trifluoromethoxy)benzoate

CAS: 721-09-5

Formula: C9H8F3NO3

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

IUPAC: methyl 3-amino-4-(trifluoromethoxy)benzoate

InChI: InChI=1S/C9H8F3NO3/c1-15-8(14)5-2-3-7(6(13)4-5)16-9(10,11)12/h2-4H,13H2,1H3

Composition: C (45.97%), H (3.43%), F (24.24%), N (5.96%), O (20.41%)

Molar Mass: 235.162

Atom Count: 24

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	235.045627611
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	INVMOQROZJDLEJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.85
Topological Polar Surface Area	61.55
Polarizability	18.01
Ring Count	1
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	721-09-5		$887.00-$1,370.00$887.00$930.00$1,370.00