3-amino-3-[5-(2,4-dichlorophenyl)furan-2-yl]propanoic acid

3-amino-3-[5-(2,4-dichlorophenyl)furan-2-yl]propanoic acid

CAS: 773125-55-6

Formula: C13H11Cl2NO3

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

IUPAC: 3-amino-3-[5-(2,4-dichlorophenyl)furan-2-yl]propanoic acid

InChI: InChI=1/C13H11Cl2NO3/c14-7-1-2-8(9(15)5-7)11-3-4-12(19-11)10(16)6-13(17)18/h1-5,10H,6,16H2,(H,17,18)

Composition: C (52.02%), H (3.69%), Cl (23.62%), N (4.67%), O (15.99%)

Molar Mass: 300.14

Atom Count: 30

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	299.0115986
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	FJWMZWXCCYEGIP-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	72
Topological Polar Surface Area	76.46
Polarizability	29.49
Ring Count	2
Rotatable Bond Count	4

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