methyl 3-amino-4-fluorobenzoate hydrate hydrochloride

methyl 3-amino-4-fluorobenzoate hydrate hydrochloride

CAS: 2368828-42-4

Formula: C8H11ClFNO3

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

IUPAC: methyl 3-amino-4-fluorobenzoate hydrate hydrochloride

InChI: InChI=1S/C8H8FNO2.ClH.H2O/c1-12-8(11)5-2-3-6(9)7(10)4-5;;/h2-4H,10H2,1H3;1H;1H2

Composition: C (42.97%), H (4.96%), Cl (15.85%), F (8.50%), N (6.26%), O (21.46%)

Molar Mass: 223.63

Atom Count: 25

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	223.0411491
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	LVTSIDRQQIOLED-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43
Topological Polar Surface Area	52.32
Polarizability	15.63
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<4 Days	2368828-42-4		$80.50-$1,546.75$80.50$124.20$302.45$1,546.75