3-amino-3-[5-(3-chlorophenyl)furan-2-yl]propanoic acid

3-amino-3-[5-(3-chlorophenyl)furan-2-yl]propanoic acid

CAS: 773125-85-2

Formula: C13H12ClNO3

SMILES: NC(CC(O)=O)C1=CC=C(O1)C1=CC(Cl)=CC=C1

IUPAC: 3-amino-3-[5-(3-chlorophenyl)furan-2-yl]propanoic acid

InChI: InChI=1/C13H12ClNO3/c14-9-3-1-2-8(6-9)11-4-5-12(18-11)10(15)7-13(16)17/h1-6,10H,7,15H2,(H,16,17)

Composition: C (58.77%), H (4.55%), Cl (13.34%), N (5.27%), O (18.06%)

Molar Mass: 265.69

Atom Count: 30

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	265.050571
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	VITXWSZTSCJHTC-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.2
Topological Polar Surface Area	76.46
Polarizability	27.57
Ring Count	2
Rotatable Bond Count	4

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95%	<5 Days	773125-85-2		$3,300.00-$5,460.00$3,300.00$4,400.00$5,460.00