3-{[2-(3-chlorophenyl)ethyl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

3-{[2-(3-chlorophenyl)ethyl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Formula: C17H18ClNO3

SMILES: OC(=O)C1C2CC(C=C2)C1C(=O)NCCC1=CC=CC(Cl)=C1

IUPAC: 3-{[2-(3-chlorophenyl)ethyl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

InChI: InChI=1/C17H18ClNO3/c18-13-3-1-2-10(8-13)6-7-19-16(20)14-11-4-5-12(9-11)15(14)17(21)22/h1-5,8,11-12,14-15H,6-7,9H2,(H,19,20)(H,21,22)

Composition: C (63.85%), H (5.67%), Cl (11.09%), N (4.38%), O (15.01%)

Molar Mass: 319.79

Atom Count: 40

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	4
Exact Mass	319.0975211
Formal Charge	0
FSP3	0.41
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	OLXZZHLNFZGPRY-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	84.79
Topological Polar Surface Area	66.4
Polarizability	32.5
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H18ClNO3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00