5-(4-bromophenyl)-1H-pyrrole-2-carboxylic acid

5-(4-bromophenyl)-1H-pyrrole-2-carboxylic acid

CAS: 1226361-85-8

Formula: C11H8BrNO2

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

IUPAC: 5-(4-bromophenyl)-1H-pyrrole-2-carboxylic acid

InChI: InChI=1S/C11H8BrNO2/c12-8-3-1-7(2-4-8)9-5-6-10(13-9)11(14)15/h1-6,13H,(H,14,15)

Composition: C (49.65%), H (3.03%), Br (30.03%), N (5.26%), O (12.03%)

Molar Mass: 266.094

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	264.973842
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	XFPCUPCSGIKYSO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.59
Topological Polar Surface Area	53.09
Polarizability	24.05
Ring Count	2
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	1226361-85-8		$59.27-$102.14$59.27$102.14