1-(3-bromophenyl)-2,5-dimethylpyrrole-3-carbaldehyde

1-(3-bromophenyl)-2,5-dimethylpyrrole-3-carbaldehyde

CAS: 812642-64-1

Formula: C13H12BrNO

SMILES: CC1=CC(C=O)=C(C)N1C1=CC=CC(Br)=C1

IUPAC: 1-(3-bromophenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde

InChI: InChI=1S/C13H12BrNO/c1-9-6-11(8-16)10(2)15(9)13-5-3-4-12(14)7-13/h3-8H,1-2H3

Composition: C (56.14%), H (4.35%), Br (28.73%), N (5.04%), O (5.75%)

Molar Mass: 278.149

Atom Count: 28

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	277.010227
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	LMMZIVDXKFJSTA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	80.32
Topological Polar Surface Area	22
Polarizability	26.43
Ring Count	2
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	812642-64-1		$198.22-$444.13$198.22$444.13