2,3-diamino-5-fluorobenzoic acid

2,3-diamino-5-fluorobenzoic acid

CAS: 177960-38-2

Formula: C7H7FN2O2

SMILES: NC1=CC(F)=CC(C(O)=O)=C1N

IUPAC: 2,3-diamino-5-fluorobenzoic acid

InChI: InChI=1S/C7H7FN2O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,9-10H2,(H,11,12)

Composition: C (49.42%), H (4.15%), F (11.17%), N (16.46%), O (18.81%)

Molar Mass: 170.143

Atom Count: 19

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	170.049155636
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	QOAHUTZAPQUPND-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.93
Topological Polar Surface Area	89.34
Polarizability	14.76
Ring Count	1
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<2 Days	177960-38-2		$112.70-$3,185.50$112.70$138.00$159.85$204.70$802.70$3,185.50