5-(3-chlorophenyl)-1H-pyrrole-2-carboxylic acid

5-(3-chlorophenyl)-1H-pyrrole-2-carboxylic acid

CAS: 1048917-65-2

Formula: C11H8ClNO2

SMILES: OC(=O)C1=CC=C(N1)C1=CC(Cl)=CC=C1

IUPAC: 5-(3-chlorophenyl)-1H-pyrrole-2-carboxylic acid

InChI: InChI=1S/C11H8ClNO2/c12-8-3-1-2-7(6-8)9-4-5-10(13-9)11(14)15/h1-6,13H,(H,14,15)

Composition: C (59.61%), H (3.64%), Cl (15.99%), N (6.32%), O (14.44%)

Molar Mass: 221.64

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	221.0243562
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	ZEZFOGHENUKAIO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.77
Topological Polar Surface Area	53.09
Polarizability	23.17
Ring Count	2
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	1048917-65-2		$150.06-$329.12$150.06$329.12